Electronic structure of ch super plus.
Methylidene electronic structure determinations using Slater-type orbitals for all wave functions
RADICAL↗
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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.
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Double-perturbation treatment of the ground state of the hydrogen molecule.
Ground state of hydrogen molecule treated by perturbation theory through second order, noting energy and wave function
GROUND STATE↗
Constrained-variation method in molecular quantum mechanics - Comparison of different approaches.
Constrained variation method in molecular quantum mechanics, presenting wave function, degree of constraint and energy loss values for lithium hydride molecule
QUANTUM MECHANICS↗
Transition probabilities for the forced harmonic oscillator.
Transition probabilities of nitrogen-nitrogen collision obtained with time-dependent wave functions of forced harmonic oscillator and by numerical methods
TRANSITION PROBABILITY↗
Perturbation theory of constraints - Application to a lithium hydride calculation.
Perturbation theory of constraints applied to variational calculation on ground state of lithium hydride molecule, using 28-term wave function
PERTURBATION THEORY↗
Remarks on the use of approximate wavefunctions for the second-order perturbation energy.
Approximate ground state wave functions used in calculation of interaction energies by second- order perturbation theory
ELECTRON INTERACTION↗
Quantum mechanical calculations of reactive scattering cross sections in bimolecular encounters
Study applies the nonequilibrium collision theory of reaction rates to the estimation of rate constants for simple reactions. The complications in the quantum mechanical description of chemical reactions and the care needed in approximating the exact wave function for the collision are shown.
Pirkle, J. C., Jr.↗
Different orbitals for different spins - Singlet S ground state of helium.
Different-orbitals-for-different-spins wave function for singlet S ground state of He expressed in Shull and Loewdin basis orbitals
GROUND STATE↗
Extended-average-energy method for perturbation problems.
Extended average energy approximation of first order perturbation wave function, proposing procedure for multidimensional problems
MOLECULAR ENERGY↗
Excitation of hydrogen molecule by electron impact. III.
Dissociation cross section of hydrogen molecule exchange excited by electron impact from ground to triplet state, using one-center wave functions
ELECTRON IMPACT↗
Cross section calculations and the study of space vehicle radiation shielding Final report
Bremsstrahlung cross sections formulated with Dirac wave functions for screened and unscreened nuclear electrostatic fields
Brysk, H.↗
Reduction of the two-electron Breit equation
Partitioning method for reducing two-electron Breit equation involving positive energy components of wave functions
Estabrooks, P. G.↗
Theoretical study of the atomic and molecular gases and their reactions in the upper atmosphere Summary report, 1 Nov. 1967 - 30 Apr. 1968
Quantum mechanical treatment of N and CO molecules, RKR Franck-Condon factors for gamma and beta band systems of NO, and wave functions and energy curves of LiH and BH
Sahni, R. C.↗
Peaking approximations in atomic scattering problems
Born approximation and wave functions, and peaking approximation for Coulomb Born matrix shown to misrepresent excitation and ionization cross sections in atomic scattering problems
Kyle, H. L.↗
Ground-state wavefunctions and energies for the helium isoelectronic series through Z equals 10.
He isoelectronic series ground state wave functions and energies, extending configuration interaction method through Z equals 10
Brown, R. T.↗
Extended polarization potential - Applications to atomic scattering.
Distortion potential arising from action of kinetic energy operator for scattered particle on atom perturbed wave function, noting extended polarization potential
Callaway, J.↗
Excitation cross sections for some of the states of 2p super 4 -3p configuration of neon 4p super 4 -5p configuration of krypton.
Excitation cross sections for upper electron states of neon and krypton lasers, obtaining wave functions
Koozekanani, S.↗
Recursion relations for Coulomb matrix elements.
Recursion relations for Coulomb matrix elements, with psi and psi prime wave functions describing bound state
Epstein, J. H.↗