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Results for “hamiltonian”

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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1966

Notes on the spin-Hamiltonian

Paramagnetic ion interaction with its crystal lattice in applied dc magnetic field, described by function of total spin resulting from unpaired electrons within ion

DIRECT CURRENT /DC/↗
NASA NTRS1985

Markov-Tree model of intrinsic transport in Hamiltonian systems

A particle in a chaotic region of phase space can spend a long time near the boundary of a regular region since transport there is slow. This 'stickiness' of regular regions is thought to be responsible for previous observations in numerical experiments of a long-time algebraic decay of the particle survival probability, i.e., survival probability approximately t to the (-z) power for large t. This paper presents a global model for transport in such systems and demonstrates the essential role of the infinite hierarchy of small islands interspersed in the chaotic region. Results for z are discussed.

Meiss, J. D.↗
NASA NTRS1995

Bounce-averaged Hamiltonian for charged particles in an axisymmetric but nondipolar model magnetosphere

In order to facilitate bounce-averaged guiding center simulations of geomagnetically trapped particles, we express the kinetic energy of a particle with magnetic coordinates (L,phi) as an analytic function of the first two adiabatic invariants (M,J) and the L value of the field line. The magnetic field model is axisymmetric, consisting of a dipolar vector-B field plus a uniform southward magnetic field parallel to the dipole moment mu(sub E). This model magnetosphere is surrounded by a circular equatorial neutral line whose radius b is an adjustable parameter. Our formulation provides a computationally efficient method for tracing the bounce-averaged adiabatic motion (conserving all three invariants) and nonadiabatic transport (violating the third invariant while conserving the first two invariants) of geomagnetically trapped particles in the model magnetosphere.

Schulz, Michael↗
NASA NTRS1999

What is the Best Alternative to Diagonalization of the Hamiltonian in Large Scale Semiempirical Calculations?

Recently, several linear scaling approaches have been introduced which replace the time dominating diagonalization step in semiempirical methods, enabling practical calculations to be performed, on very large molecules. This paper compares the accuracy and performance of pseudodiagonalization (PD), conjugate gradient density matrix search (CG-DMS), the Chebyshev polynomial expansion method (CEM), and purification of the density matrix (PDM) as linear scaling substitutions for diagonalization. The scaling, speed, and reliability of these methods are compared for AMI single point energy calculations on polyglycine chains (up to 20,000 atoms), water clusters (up to 12,300 atoms), and nucleic acids (up to 6300 atoms).

Daniels, Andrew D.↗