Natural bond orbital-based energy density analysis for correlated methods: Second-order Møller–Plesset perturbation and coupled-cluster singles and doubles-Reference-Cited by-同舟云学术

Natural bond orbital-based energy density analysis for correlated methods: Second-order Møller–Plesset perturbation and coupled-cluster singles and doubles

Published:2008 Issue:8 Volume:108 Page:1316-1325
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Imamura Yutaka,Baba Takeshi,Nakai Hiromi

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference62 articles.

1. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

2. Charge, bond order and valence in the AB initio SCF theory

3. Energy density analysis with Kohn–Sham orbitals

4. Complete one- and two-center partitioning scheme for the total energy in the Hartree-Fock theory

5. A chemical energy component analysis

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