Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N2, F2, and CO-Reference-Cited by-同舟云学术

Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N2, F2, and CO

Published:2004-09-22 Issue:12 Volume:121 Page:5874-5884
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ruden Torgeir A.,Helgaker Trygve,Jørgensen Poul,Olsen Jeppe

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1780155

Reference55 articles.

1. Analytical gradients for the coupled-cluster method

2. Analytic gradients for coupled‐cluster energies that include noniterative connected triple excitations: Application to cis‐ and trans‐HONO

3. Analytic evaluation of energy gradients for the singles and doubles coupled cluster method including perturbative triple excitations: Theory and applications to FOOF and Cr2

4. Analytic gradients for the coupled-cluster singles, doubles, and triples (CCSDT) model

5. Analytic second derivatives for general coupled-cluster and configuration-interaction models

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