Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures

Ludwik Adamowicz; Rodney J. Bartlett

doi:10.1016/0009-2614(84)85443-3

Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures

Ludwik Adamowicz
, Rodney J. Bartlett

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

4 Scopus citations

Abstract

The transformation of occupied and excited SCF orbitals expressed in Cartesian Gaussian form to a smaller, simpler set of floating spherical Gaussians is described. Illustrative applications at the correlated coupled-cluster level are presented for Lill and H₂O.

Original language	English (US)
Pages (from-to)	365-368
Number of pages	4
Journal	Chemical Physics Letters
Volume	110
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(84)85443-3
State	Published - Oct 5 1984
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(84)85443-3

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@article{298edea05f60424da73721de22389005,

title = "Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures",

abstract = "The transformation of occupied and excited SCF orbitals expressed in Cartesian Gaussian form to a smaller, simpler set of floating spherical Gaussians is described. Illustrative applications at the correlated coupled-cluster level are presented for Lill and H2O.",

author = "Ludwik Adamowicz and Bartlett, \{Rodney J.\}",

note = "Funding Information: * This research XIS supported by the U.S. Office of Naval Research under contract No. N00014-814l621.",

year = "1984",

month = oct,

day = "5",

doi = "10.1016/0009-2614(84)85443-3",

language = "English (US)",

volume = "110",

pages = "365--368",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "4",

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TY - JOUR

T1 - Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures

AU - Adamowicz, Ludwik

AU - Bartlett, Rodney J.

N1 - Funding Information: * This research XIS supported by the U.S. Office of Naval Research under contract No. N00014-814l621.

PY - 1984/10/5

Y1 - 1984/10/5

N2 - The transformation of occupied and excited SCF orbitals expressed in Cartesian Gaussian form to a smaller, simpler set of floating spherical Gaussians is described. Illustrative applications at the correlated coupled-cluster level are presented for Lill and H2O.

AB - The transformation of occupied and excited SCF orbitals expressed in Cartesian Gaussian form to a smaller, simpler set of floating spherical Gaussians is described. Illustrative applications at the correlated coupled-cluster level are presented for Lill and H2O.

UR - https://www.scopus.com/pages/publications/48549110950

UR - https://www.scopus.com/pages/publications/48549110950#tab=citedBy

U2 - 10.1016/0009-2614(84)85443-3

DO - 10.1016/0009-2614(84)85443-3

M3 - Article

AN - SCOPUS:48549110950

SN - 0009-2614

VL - 110

SP - 365

EP - 368

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4

ER -

Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures

Abstract

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