Tribute to Krishnan Raghavachari

Title
Tribute to Krishnan Raghavachari
Publication Date
2024
Author(s)
Hratchian, Hrant P
Karton, Amir
( author )
OrcID: https://orcid.org/0000-0002-7981-508X
Email: akarton@une.edu.au
UNE Id une-id:akarton
Mayhall, Nicholas J
Type of document
Journal Article
Language
en
Entity Type
Publication
Publisher
American Chemical Society
Place of publication
United States of America
DOI
10.1021/acs.jpca.4c01320
UNE publication id
une:1959.11/58518
Abstract

It is quite likely that at all times of the day and night, some number of CCSD(T) and Gaussian-n compound model chemistry calculations are running somewhere in the world. Even more probable is that there is always some computer somewhere running correlated electronic structure calculations with the polarized 6-311G basis set. It is also nearly certain that self-consistent field theory second-derivative calculations to calculate spectroscopic and thermodynamic properties are running on computers on our planet 24 h a day, 7 days a week.

Link
Citation
The Journal of Physical Chemistry A, 138(13), p. 2523-2525
ISSN
1089-5639
Start page
2523
End page
2525

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