Calculation of nuclear magnetic resonance shieldings and magnetic susceptibilities using multiconfiguration Hartree–Fock wave functions and local gauge origins-Reference-Cited by-同舟云学术

Calculation of nuclear magnetic resonance shieldings and magnetic susceptibilities using multiconfiguration Hartree–Fock wave functions and local gauge origins

Published:1996-02-08 Issue:6 Volume:104 Page:2330-2340
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

van Wüllen Christoph,Kutzelnigg Werner

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.470928

Reference23 articles.

1. Gauge Invariance of the Hartree‐Fock Approximation

2. Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules

3. Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules

4. Stationary perturbation theory

5. The MC-IGLO method

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