Works Published in 1973

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Displaying all 4 works

Sorted by most recent date added to the index first, which may not be the same as publication date order.

1973 journal article

Comparative SCF and CI studies of NH3 and PH3

The Journal of Chemical Physics, 59(9), 4855–4866.

By: J. Petke* & J. Whitten*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Crossref, NC State University Libraries
Added: May 11, 2021

1973 journal article

Ab initio studies of molecules and concepts of molecular structure

Accounts of Chemical Research, 6(7), 238–245.

By: J. Whitten*

Sources: Crossref, NC State University Libraries
Added: May 11, 2021

1973 journal article

Coulombic potential energy integrals and approximations

The Journal of Chemical Physics, 58(10), 4496–4501.

By: J. Whitten*

TL;DR: Theorems are derived which establish a method of approximating two‐particle Coulombic potential energy integrals, [φa(1) r12−1 |φb(2)], in terms of approximate charge densities φa′ and φb′, and a simple method of optimizing charge density approximations such that δ is minimized is derived. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Crossref, NC State University Libraries, Web Of Science
Added: May 11, 2021

1973 journal article

Localized orbital SCF and CI studies of ground electronic states

The Journal of Chemical Physics, 58(3), 948–955.

By: D. Wilhite* & J. Whitten*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Crossref, NC State University Libraries
Added: May 11, 2021

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