Overcomplete multicenter basis sets

Harry F. King; Richard E. Stanton; Marshall D. Newton

doi:10.1016/0009-2614(75)80058-3

Overcomplete multicenter basis sets

Harry F. King
, Richard E. Stanton
, Marshall D. Newton

Chemistry

Canisius College
Brookhaven National Laboratory

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The distribution of eigenvalues of the overlap matrix is analyzed for large and, in the limit, infinite overcomplete multicenter basis sets. It is shown that in the limit the eigenvalues become infinitely degenerate. A numerical example is given and discussed in terms of a semiclassical distribution in phase space.

Original language	English
Pages (from-to)	61-65
Number of pages	5
Journal	Chemical Physics Letters
Volume	31
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(75)80058-3
State	Published - Feb 15 1975

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title = "Overcomplete multicenter basis sets",

abstract = "The distribution of eigenvalues of the overlap matrix is analyzed for large and, in the limit, infinite overcomplete multicenter basis sets. It is shown that in the limit the eigenvalues become infinitely degenerate. A numerical example is given and discussed in terms of a semiclassical distribution in phase space.",

author = "King, \{Harry F.\} and Stanton, \{Richard E.\} and Newton, \{Marshall D.\}",

year = "1975",

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T1 - Overcomplete multicenter basis sets

AU - King, Harry F.

AU - Stanton, Richard E.

AU - Newton, Marshall D.

PY - 1975/2/15

Y1 - 1975/2/15

N2 - The distribution of eigenvalues of the overlap matrix is analyzed for large and, in the limit, infinite overcomplete multicenter basis sets. It is shown that in the limit the eigenvalues become infinitely degenerate. A numerical example is given and discussed in terms of a semiclassical distribution in phase space.

AB - The distribution of eigenvalues of the overlap matrix is analyzed for large and, in the limit, infinite overcomplete multicenter basis sets. It is shown that in the limit the eigenvalues become infinitely degenerate. A numerical example is given and discussed in terms of a semiclassical distribution in phase space.

UR - https://www.scopus.com/pages/publications/49549142131

U2 - 10.1016/0009-2614(75)80058-3

DO - 10.1016/0009-2614(75)80058-3

M3 - Article

AN - SCOPUS:49549142131

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VL - 31

SP - 61

EP - 65

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

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Overcomplete multicenter basis sets

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