Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules-Reference-Cited by-同舟云学术

Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules

Published:2001-12-19 Issue:24 Volume:34 Page:5127-5143
ISSN:0953-4075
Container-title:Journal of Physics B: Atomic, Molecular and Optical Physics
language:
Short-container-title:J. Phys. B: At. Mol. Opt. Phys.

Author:

Kobus J,Moncrieff D,Wilson S

Publisher

IOP Publishing

Subject

Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference46 articles.

1. Diatomic Molecules: Exact Solutions of HF Equations

2. Visualization of deficiencies in approximate molecular wave functions: the orbital amplitude difference function for the matrix Hartree-Fock description of the ground state of the boron fluoride molecule

3. Visualization of deficiencies in approximate molecular wave functions: the local orbital energy function for the matrix Hartree—Fock model

4. Comparison of the electric moments obtained from finite basis set and finite-difference Hartree-Fock calculations for diatomic molecules

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