Search NASA⌕ Search

SEARCH · Search NASA

Results for “Center”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Actions Needed to Ensure Scientific and Technical Information is Adequately Reviewed at Goddard Space Flight Center, Johnson Space Center, Langley Research Center, and Marshall Space Flight Center

This audit was initiated in response to a hotline complaint regarding the review, approval, and release of scientific and technical information (STI) at Johnson Space Center. The complainant alleged that Johnson personnel conducting export control reviews of STI were not fully qualified to conduct those reviews and that the reviews often did not occur until after the STI had been publicly released. NASA guidance requires that STI, defined as the results of basic and applied scientific, technical, and related engineering research and development, undergo certain reviews prior to being released outside of NASA or to audiences that include foreign nationals. The process includes technical, national security, export control, copyright, and trade secret (e.g., proprietary data) reviews. The review process was designed to preclude the inappropriate dissemination of sensitive information while ensuring that NASA complies with a requirement of the National Aeronautics and Space Act of 1958 (the Space Act)1 to provide for the widest practicable and appropriate dissemination of information resulting from NASA research activities. We focused our audit on evaluating the STI review process: specifically, determining whether the roles and responsibilities for the review, approval, and release of STI were adequately defined and documented in NASA and Center-level guidance and whether that guidance was effectively implemented at Goddard Space Flight Center, Johnson Space Center, Langley Research Center, and Marshall Space Flight Center. Johnson was included in the review because it was the source of the initial complaint, and Goddard, Langley, and Marshall were included because those Centers consistently produce significant amounts of STI.

Information management↗
NASA NTRS2004

The Center Master Plan For NASA Glenn Research Center

The Center Master Plan for NASA Glenn Research Center is a comprehensive survey of NASA Glenn's current facility assets and a vision of how we see the facilities will change over the next 20 years in order to support the changing NASA Mission. This Center Master Plan is a vital management tool used by all organizations for making near term decisions and in future planning. During the summer of 2004, I worked with Joseph Morris, the Chief Architect in the Facilities Division, on beginning this Center Master Planning Process. The previous Master Plan was completed by the Center in 1985 and contained general information on the background of the facility as well as maps detailing environmental and historic records, land use, utilities, etc. The new Master Plan is required for the Center by NASA headquarters and will include similar types of information as used in the past. The new study will provide additional features including showing how individual buildings are linked to the programs and missions that they serve. The Master Plan will show practical future options for the facility s assets with a twenty year look ahead. The Plan will be electronically retrievable so that it becomes a communications tool for Center personnel. A Center Master Plan, although required, is very beneficial to NASA Glenn Research Center in aiding management with the future direction of the campus. Keeping up-to-date information and future plans readily available to all of NASA Glenn will insure that future real property development efficiently and effectively supports the missions camed out and supported by the Center. A Center Master Plan will also facilitate coordination with Center supported programs, stakeholders, and customers. In addition, it will provide a basis for cooperative planning with local and other governmental organizations and ultimately ensure that future budgets include the Center program needs described in the plan. This will ensure that development plans are safe, practical, and cost effective. To properly formulate any future plans, background information and research are required. Before bringing in a consultant to tackle the three year process anticipated to prepare a Center Master Plan, my job was to gather information on different organizations contributions to the NASA mission, their facility needs, consistent trends they observe, etc. I conducted numerous interviews with personnel such as Directorate Representatives, Division Chiefs, Branch Chiefs, System Managers and Building Managers. I documented the information I received from them for future use. I used the information to create various color-coded maps layering the different data. This was done with the ending objective being to collect the information and place it in a database that will be linked with Aperture (a computer program that generates color-coded map layers from database information) and made electronically retrievable to the Planning Consultant, NASA personnel, program stakeholders, and other governmental agencies. My goal this summer was to gather information and ideas appropriate for use in NASA Glenn Research Center s Master Plan and organize them for future application by the Planning Consultant. By the end of the summer, after completion of my goal, I will utilize my knowledge and create an array of preliminary future plans for the facility that can be passed along as a guidance tool.

Bigach, Kristin M.↗
NASA NTRS2010

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Viscous Fluxes

Discretization of the viscous terms in current finite-volume unstructured-grid schemes are compared using node-centered and cell-centered approaches in two dimensions. Accuracy and complexity are studied for four nominally second-order accurate schemes: a node-centered scheme and three cell-centered schemes - a node-averaging scheme and two schemes with nearest-neighbor and adaptive compact stencils for least-square face gradient reconstruction. The grids considered range from structured (regular) grids to irregular grids composed of arbitrary mixtures of triangles and quadrilaterals, including random perturbations of the grid points to bring out the worst possible behavior of the solution. Two classes of tests are considered. The first class of tests involves smooth manufactured solutions on both isotropic and highly anisotropic grids with discontinuous metrics, typical of those encountered in grid adaptation. The second class concerns solutions and grids varying strongly anisotropically over a curved body, typical of those encountered in high-Reynolds number turbulent flow simulations. Tests from the first class indicate the face least-square methods, the node-averaging method without clipping, and the node-centered method demonstrate second-order convergence of discretization errors with very similar accuracies per degree of freedom. The tests of the second class are more discriminating. The node-centered scheme is always second order with an accuracy and complexity in linearization comparable to the best of the cell-centered schemes. In comparison, the cell-centered node-averaging schemes may degenerate on mixed grids, have a higher complexity in linearization, and can fail to converge to the exact solution when clipping of the node-averaged values is used. The cell-centered schemes using least-square face gradient reconstruction have more compact stencils with a complexity similar to that of the node-centered scheme. For simulations on highly anisotropic curved grids, the least-square methods have to be amended either by introducing a local mapping based on a distance function commonly available in practical schemes or modifying the scheme stencil to reflect the direction of strong coupling. The major conclusion is that accuracies of the node centered and the best cell-centered schemes are comparable at equivalent number of degrees of freedom.

Diskin, Boris↗
NASA NTRS2009

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Viscous Fluxes - Part 1

Discretization of the viscous terms in current finite-volume unstructured-grid schemes are compared using node-centered and cell-centered approaches in two dimensions. Accuracy and efficiency are studied for six nominally second-order accurate schemes: a node-centered scheme, cell-centered node-averaging schemes with and without clipping, and cell-centered schemes with unweighted, weighted, and approximately mapped least-square face gradient reconstruction. The grids considered range from structured (regular) grids to irregular grids composed of arbitrary mixtures of triangles and quadrilaterals, including random perturbations of the grid points to bring out the worst possible behavior of the solution. Two classes of tests are considered. The first class of tests involves smooth manufactured solutions on both isotropic and highly anisotropic grids with discontinuous metrics, typical of those encountered in grid adaptation. The second class concerns solutions and grids varying strongly anisotropically over a curved body, typical of those encountered in high-Reynolds number turbulent flow simulations. Results from the first class indicate the face least-square methods, the node-averaging method without clipping, and the node-centered method demonstrate second-order convergence of discretization errors with very similar accuracies per degree of freedom. The second class of tests are more discriminating. The node-centered scheme is always second order with an accuracy and complexity in linearization comparable to the best of the cell-centered schemes. In comparison, the cell-centered node-averaging schemes are less accurate, have a higher complexity in linearization, and can fail to converge to the exact solution when clipping of the node-averaged values is used. The cell-centered schemes using least-square face gradient reconstruction have more compact stencils with a complexity similar to the complexity of the node-centered scheme. For simulations on highly anisotropic curved grids, the least-square methods have to be amended either by introducing a local mapping of the surface anisotropy or modifying the scheme stencil to reflect the direction of strong coupling.

Diskin, Boris↗
NASA NTRS2010

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Inviscid Fluxes

Cell-centered and node-centered approaches have been compared for unstructured finite-volume discretization of inviscid fluxes. The grids range from regular grids to irregular grids, including mixed-element grids and grids with random perturbations of nodes. Accuracy, complexity, and convergence rates of defect-correction iterations are studied for eight nominally second-order accurate schemes: two node-centered schemes with weighted and unweighted least-squares (LSQ) methods for gradient reconstruction and six cell-centered schemes two node-averaging with and without clipping and four schemes that employ different stencils for LSQ gradient reconstruction. The cell-centered nearest-neighbor (CC-NN) scheme has the lowest complexity; a version of the scheme that involves smart augmentation of the LSQ stencil (CC-SA) has only marginal complexity increase. All other schemes have larger complexity; complexity of node-centered (NC) schemes are somewhat lower than complexity of cell-centered node-averaging (CC-NA) and full-augmentation (CC-FA) schemes. On highly anisotropic grids typical of those encountered in grid adaptation, discretization errors of five of the six cell-centered schemes converge with second order on all tested grids; the CC-NA scheme with clipping degrades solution accuracy to first order. The NC schemes converge with second order on regular and/or triangular grids and with first order on perturbed quadrilaterals and mixed-element grids. All schemes may produce large relative errors in gradient reconstruction on grids with perturbed nodes. Defect-correction iterations for schemes employing weighted least-square gradient reconstruction diverge on perturbed stretched grids. Overall, the CC-NN and CC-SA schemes offer the best options of the lowest complexity and secondorder discretization errors. On anisotropic grids over a curved body typical of turbulent flow simulations, the discretization errors converge with second order and are small for the CC-NN, CC-SA, and CC-FA schemes on all grids and for NC schemes on triangular grids; the discretization errors of the CC-NA scheme without clipping do not converge on irregular grids. Accurate gradient reconstruction can be achieved by introducing a local approximate mapping; without approximate mapping, only the NC scheme with weighted LSQ method provides accurate gradients. Defect correction iterations for the CC-NA scheme without clipping diverge; for the NC scheme with weighted LSQ method, the iterations either diverge or converge very slowly. The best option in curved geometries is the CC-SA scheme that offers low complexity, second-order discretization errors, and fast convergence.

Diskin, Boris↗
DOE OSTI2024

Geospatial characterization of low-temperature heating and cooling demand in residential, commercial, manufacturing, agricultural, and data center sectors for potential geothermal applications in the United States

Thermal demand for heating and cooling has been predominantly supplied by fossil fuel combustion in the United States, although low-carbon alternatives are extensively available including geothermal, solar thermal, and waste heat. Here, this study analyzed end-use energy consumption, fuel expenditure, and data center commissioned power data to geospatially characterize the U.S. low-temperature heating and cooling demand at the county level in residential, commercial, manufacturing, agricultural, and data center sectors and understand potential opportunities for geothermal applications. In the analysis, the regional-scale energy consumption data was incorporated with system efficiencies to address actual demand and was then disaggregated with weighting factors to the county level. The results indicated that total low-temperature heating and cooling demand is 16.7 EJ, combining heating demand of 10.8 EJ and cooling demand of 5.9 EJ. Overall, 59.9 % (10 EJ) of the low-temperature heating and cooling demand occurred in the residential sector. The heating and cooling demand visualized in maps represented that the geospatial distribution of heating and cooling demand in the residential and commercial sectors is governed by the number of housing units and climate zone designations, while heating and cooling demand in the manufacturing, agricultural, and data center sectors is dependent on the number and location of facilities. The results also demonstrated that geothermal heat pumps are broadly used in the residential and commercial sectors for heating and cooling in the U.S. Midwest, South, and Northeast regions but are limited in the West, implying great decarbonization potential in the future.

15 GEOTHERMAL ENERGY↗
NASA NTRS1992

The Center for Aerospace Research: A NASA Center of Excellence at North Carolina Agricultural and Technical State University

This report documents the efforts and outcomes of our research and educational programs at NASA-CORE in NCA&TSU. The goal of the center was to establish a quality aerospace research base and to develop an educational program to increase the participation of minority faculty and students in the areas of aerospace engineering. The major accomplishments of this center in the first year are summarized in terms of three different areas, namely, the center's research programs area, the center's educational programs area, and the center's management area. In the center's research programs area, we focus on developing capabilities needed to support the development of the aerospace plane and high speed civil transportation system technologies. In the educational programs area, we developed an aerospace engineering option program ready for university approval.

Lai, Steven H.-Y.↗
NASA NTRS1999

NASA Langley Teacher Resource Center at the Virginia Air and Space Center

Nation's education goals through expanding and enhancing the scientific an technological competence of students and educators. To help disseminate NASA instructional materials and educational information, NASA's Education Division has established the Educator Resource Center Network. Through this network (ERCN), educators are provided the opportunity to receive free instructional information, materials, consultation, and training workshops on NASA educational products. The Office of Education at NASA Langley Research Center offers an extension of its Precollege Education program by supporting the NASA LARC Educator Resource Center at the Virginia Air & Space Center, the official visitor center for NASA LARC. This facility is the principal distribution point for educators in the five state service region that includes Virginia, West Virginia, Kentucky, North Carolina and South Carolina. The primary goal, to provide expertise and facilities to help educators access and utilize science, mathematics, and technology instructional products aligned with national standards and appropriate state frameworks and based on NASA's unique mission and results, has been accomplished. This ERC had 15,200 contacts and disseminated over 190,000 instructional items during the period of performance. In addition the manager attended 35 conferences, workshops, and educational meetings as an GR, presenter, or participant. The objective to demonstrate and facilitate the use of educational technologies has been accomplished through the following: The ERC's web page has been developed as a cyber-gateway to a multitude of NASA and other educational resources as well as to Our own database of current resource materials. NASA CORE CD-ROM technology is regularly demonstrated and promoted using the center's computers. NASA TV is available, demonstrated to educators, and used to facilitate the downlinking of NASA educational programming.

Maher, Kim L.↗
NASA NTRS2009

Development and Testing of the Glenn Research Center Visitor's Center Grid-Tied Photovoltaic Power System

The NASA Glenn Research Center (GRC) has developed, installed, and tested a 12 kW DC grid-tied photovoltaic (PV) power system at the GRC Visitor s Center. This system utilizes a unique ballast type roof mount for installing the photovoltaic panels on the roof of the Visitor s Center with no alterations or penetrations to the roof. The PV system has generated in excess of 15000 kWh since operation commenced in August 2008. The PV system is providing power to the GRC grid for use by all. Operation of the GRC Visitor s Center PV system has been completely trouble free. A grid-tied PV power system is connected directly to the utility distribution grid. Facility power can be obtained from the utility system as normal. The PV system is synchronized with the utility system to provide power for the facility, and excess power is provided to the utility. The project transfers space technology to terrestrial use via nontraditional partners. GRC personnel glean valuable experience with PV power systems that are directly applicable to various space power systems, and provides valuable space program test data. PV power systems help to reduce harmful emissions and reduce the Nation s dependence on fossil fuels. Power generated by the PV system reduces the GRC utility demand, and the surplus power aids the community. Present global energy concerns reinforce the need for the development of alternative energy systems. Modern PV panels are readily available, reliable, efficient, and economical with a life expectancy of at least 25 years. Modern electronics has been the enabling technology behind grid-tied power systems, making them safe, reliable, efficient, and economical with a life expectancy of at least 25 years. Based upon the success of the GRC Visitor s Center PV system, additional PV power system expansion at GRC is under consideration. The GRC Visitor s Center grid-tied PV power system was successfully designed and developed which served to validate the basic principles described, and the theoretical work that was performed. The report concludes that grid-tied photovoltaic power systems are reliable, maintenance free, long life power systems, and are of significant value to NASA and the community.

Eichenberg, Dennis J.↗
DOE OSTI2025

Data Centers and Digital Assurance Introduction to Supply Chain and Cybersecurity for Data Centers, Session 1

The first session of the TADA (Technical Assistance for Digital Assurance) Data Centers Cohort Workshop, held on October 30, 2025, introduced foundational concepts of Digital Assurance in the context of data center and grid integration. Sponsored by the U.S. Department of Energy, the workshop brought together utilities, data center operators, developers, and vendors to address cybersecurity and supply chain vulnerabilities. The session emphasized the growing criticality of data centers within the electric grid and the need for secure, real-time, bidirectional communication. Participants explored the principles of Digital Assurance, including cybersecurity, cyber-informed engineering (CIE), and lifecycle security, and applied a threat-vulnerability-consequence framework to identify and mitigate risks at the data center–grid interface. Discussions covered a range of threats such as spoofed dispatch signals and insider threats, architectural vulnerabilities like SCADA interfaces and insecure protocols, and potential consequences including cascading grid failures. The session also raised strategic questions about business value, vendor assurance, and defining cyber boundaries and responsibilities. This foundational workshop set the stage for deeper technical analysis and the development of actionable frameworks in subsequent sessions. Session 1 of 3.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1992

Kennedy Space Center's NASA/Contractor Team-Centered Total Quality Management Seminar: Results, methods, and lessons learned

It is apparent to everyone associated with the Nation's aeronautics and space programs that the challenge of continuous improvement can be reasonably addressed only if NASA and its contractors act together in a fully integrated and cooperative manner that transcends the traditional boundaries of proprietary interest. It is, however, one thing to assent to the need for such integration and cooperation; it is quite another thing to undertake the hard tasks of turning such a need into action. Whatever else total quality management is, it is fundamentally a team-centered and team-driven process of continuous improvement. The introduction of total quality management at KSC, therefore, has given the Center a special opportunity to translate the need for closer integration and cooperation among all its organizations into specific initiatives. One such initiative that NASA and its contractors have undertaken at KSC is a NASA/Contractor team-centered Total Quality Management Seminar. It is this seminar which is the subject of this paper. The specific purposes of this paper are to describe the following: Background, development, and evolution of Kennedy Space Center's Total Quality Management Seminar; Special characteristics of the seminar; Content of the seminar; Meaning and utility of a team-centered design for TQM training; Results of the seminar; Use that one KSC contractor, EG&G Florida, Inc. has made of the seminar in its Total Quality Management initiative; and Lessons learned.

Kinlaw, Dennis C.↗
NASA NTRS2007

Test Facilities Capability Handbook: Volume 1 - Stennis Space Center (SSC); Volume 2 - Marshall Space Flight Center (MSFC)

The John C. Stennis Space Center (SSC) is located in Southern Mississippi near the Mississippi-Louisiana state line. SSC is chartered as the National Aeronautics and Space Administration (NASA) Center of Excellence for large space transportation propulsion system testing. This charter has led to many unique test facilities, capabilities and advanced technologies provided through the supporting infrastructure. SSC has conducted projects in support of such diverse activities as liquid, and hybrid rocket testing and development; material development; non-intrusive plume diagnostics; plume tracking; commercial remote sensing; test technology and more. On May 30, 1996 NASA designated SSC the lead center for rocket propulsion testing, giving the center total responsibility for conducting and/or managing all NASA rocket engine testing. Test services are now available not only for NASA but also for the Department of Defense, other government agencies, academia, and industry. This handbook was developed to provide a summary of the capabilities that exist within SSC. It is intended as a primary resource document, which will provide the reader with the top-level capabilities and characteristics of the numerous test facilities, test support facilities, laboratories, and services. Due to the nature of continually evolving programs and test technologies, descriptions of the Center's current capabilities are provided. Periodic updates and revisions of this document will be made to maintain its completeness and accuracy.

Hensarling, Paula L.↗
NASA NTRS2019

New Mission Concept: Investigation of the Galactic Center with the Galactic Center Explorer (GalCenEx)

The European Space Observatory INTEGRAL has been providing excellent results on X-ray and γ–ray astronomy since its launch in 2002. Among the most important results are the spectroscopy and imaging measurements of celestial γ-ray sources, including mapping the 511 keV radiation from the Galactic plane. However, the nature of the 511 keV positron annihilation line around the Galactic Center region is still a mystery. Similarly, the structure and nature of the Galactic Center supermassive black hole and its surroundings, as well as the structure of heavily populated sky regions such as Cygnus and Carina in γ-rays, remain unclear. We present a concept of a potential next-generation γ-ray telescope with the major science objectives: a) solve the mystery of the Galactic Center region 511 keV positron annihilation line by mapping the Galactic Center region with high energy (<1% FWHM) and angular (< 10 arcmin) resolution and with line sensitivity <10-5 ph cm-2 s-1; b) understand the nature of the Galactic Center supermassive black hole environment by creating a high-resolution spectral and intensity map of the surrounding region in 0.1 – 20 MeV γ rays; and c) explore Galactic chemical evolution and sites of explosive element synthesis by conducting high-sensitivity measurements of nuclear lines from Type 1a supernovae and other objects. The instrument is based on a novel high energy and position resolution CdZnTe Imager, coded aperture mask, and heavy-scintillator shield, and can be considered for a NASA Explorer mission.

Moiseev, Alexander↗
DOE OSTI2026

Advanced Data Center Energy Opportunities: Cloud and Infrastructure CoP - Data Center Energy and Efficiency with AI Adoption

The NLR portion of the "Cloud & Infrastructure CoP - Data Center Energy and Efficiency with AI Adoption" web meeting will cover data center locations, energy use and load growth, best practices, performance metrics, transition to direct liquid cooled data center equipment, and NLR's approach to optimizing data center.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1993

Common front end systems for Space Shuttle and Space Station control centers at Johnson Space Center

In the beginning of the fiscal year 1992, the development organizations of Johnson Space Center (JSC) were poised to begin two major projects: the Space Station Control Center and the refurbishment of the telemetry processing area of the Space Shuttle Mission Control Center. A study team established that a common front end concept could be used and could reduce development costs for both projects. A standard processor was defined to support most of the front end functions of both control centers and supports a consolidation of control positions which effectively reduces operations cost. This paper defines that common concept and describes the progress that has been made in development of the Consolidated Communications Facility (CCF) during the past year.

Uljon, Linda↗
NASA NTRS1995

NASA(Field Center Based) Technology Commercialization Centers

Under the direction of the IC(sup 2) Institute, the Johnson Technology Commercialization Center has met or exceeded all planned milestones and metrics during the first two and a half years of the NTCC program. The Center has established itself as an agent for technology transfer and economic development in- the Clear Lake community, and is positioned to continue as a stand-alone operation. This report presents data on the experimental JTCC program, including all objective measures tracked over its duration. While the metrics are all positive, the data indicates a shortage of NASA technologies with strong commercial potential, barriers to the identification and transfer of technologies which may have potential, and small financial return to NASA via royalty-bearing licenses. The Center has not yet reached the goal of self-sufficiency based on rental income, and remains dependent on NASA funding. The most important issues raised by the report are the need for broader and deeper community participation in the Center, technology sourcing beyond JSC, and the form of future funding which will be appropriate.

Source record↗
NASA NTRS2022

Predictive Integrated Stratigraphic Modeling Report, Center-wide Per- and Polyfluoroalkyl Substances, Potential Release Location 237, Kennedy Space Center, FL

The National Aeronautics and Space Administration (NASA) is investigating the occurrence of per- and polyfluoroalkyl substances (PFAS) Center-wide at Kennedy Space Center (KSC), Merritt Island, Florida (Figure 1-1) as Potential Release Location 237. AECOM Technical Services, Inc. (AECOM) conducted investigation activities in 2020 and 2021 to develop a better understanding of the fate and transport of PFAS in groundwater and surface water at KSC center-wide using PRedictive Integrated Stratigraphic Modeling (PRISM). PRISM uses best practices from the fields of geology, hydrology, and chemistry to acquire a holistic understanding of the subsurface and more accurately predict contaminant migration pathways. Based on the potential magnitude (frequency and areal distribution) of PFAS impacts at KSC, the analyses described herein were designed to provide tools to address the unique behavior of PFAS chemicals.

PFAS↗
DOE OSTI2024

3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors

We report an implementation of the McMurchie–Davidson (MD) algorithm for 3-center and 4-center 2-particle integrals over Gaussian atomic orbitals (AOs) with low and high angular momenta l and varying degrees of contraction for graphical processing units (GPUs). This work builds upon our recent implementation of a matrix form of the MD algorithm that is efficient for GPU evaluation of 4-center 2-particle integrals over Gaussian AOs of high angular momenta (l ≥ 4) [A. Asadchev and E. F. Valeev, J. Phys. Chem. A 127, 10889–10895 (2023)]. The use of unconventional data layouts and three variants of the MD algorithm allow for the evaluation of integrals with double precision and sustained performance between 25% and 70% of the theoretical hardware peak. Performance assessment includes integrals over AOs with l ≤ 6 (a higher l is supported). Preliminary implementation of the Hartree–Fock exchange operator is presented and assessed for computations with up to a quadruple-zeta basis and more than 20 000 AOs. The corresponding C++ code is part of the experimental open-source LibintX library available at https://github.com/ValeevGroup/libintx.

Chemistry↗