Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Spin-orbit operators relativistic effective core potentials-based

Fig. 6. Average relativistic effective core potential and relativistic effective core potential energy curves for two states of Bi2. HF, Hartree-Fock GVB(pp), eight-configuration perfect-pairing generalized valence bond FVCI, full-valence Cl based on the GVB(pp) wave functions FV7R, full-valence Cl plus single and double promotions to virtual MOs relative to seven-dominant configurations. (The FVCI and FV7R calculations include the REP-based spin-orbit operator.)... Fig. 6. Average relativistic effective core potential and relativistic effective core potential energy curves for two states of Bi2. HF, Hartree-Fock GVB(pp), eight-configuration perfect-pairing generalized valence bond FVCI, full-valence Cl based on the GVB(pp) wave functions FV7R, full-valence Cl plus single and double promotions to virtual MOs relative to seven-dominant configurations. (The FVCI and FV7R calculations include the REP-based spin-orbit operator.)...
See other pages where Spin-orbit operators relativistic effective core potentials-based is mentioned: [Pg.352]    [Pg.353]    [Pg.96]    [Pg.315]    [Pg.5]    [Pg.548]    [Pg.314]   


SEARCH



Base effect

Bases base effect

Core orbital

Core orbitals

Core potential

Core spinning

Effective Core Potential

Effective core potentiate

Effective spin-orbit operator

Operating effectiveness

Operating potential effect

Operation potential

Operational Effectiveness

Operational Effects

Operator effective spin

Operators Spin-orbit

Orbital effects

Orbital operators

Orbitals relativistic

Relativistic core

Relativistic effective core

Relativistic potential

Relativistic spin-orbit

Relativistic spin-orbit operator

Spin effects

Spin operator

Spin potential

Spin-orbit effects

Spin-orbit operators relativistic effective core potential

Spin-orbit potential

Spin-orbital effect

Spin-orbital operator

Spinning operation

© 2024 chempedia.info