A reassessment of some restricted Hartree-Fock limit molecular energies and an investigation of the applicability of Ermler and Kern's procedure for their estimation-Reference-Cited by-同舟云学术

A reassessment of some restricted Hartree-Fock limit molecular energies and an investigation of the applicability of Ermler and Kern's procedure for their estimation

Published:1981 Issue:3 Volume:2 Page:334-346
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

George Philip,Trachtman Mendel,Bock Charles W.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference57 articles.

1. Simple procedure for estimating the Hartree‐Fock‐limit energies of molecules

2. PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom

3. Correlation energies for AHnmolecules and cations

4. personal communication.

5. Study of the structure of molecular complexes. IV. The Hartree‐Fock potential for the water dimer and its application to the liquid state

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