Calculation of extended hartree-fock wavefunctions

U. Z.I. Kaldor

doi:10.1063/1.1668721

Calculation of extended hartree-fock wavefunctions

U. Z.I. Kaldor^*

^*Corresponding author for this work

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

39 Scopus citations

Abstract

It is shown that an extended Hartree-Fock (EHF) function, obtained by applying a projection operator 0 to a Hartree product φ with subsequent optimization, has vanishing matrix elements of the operator H-EI with all its singly excited states. A method for obtaining the EHF function using this property is described. Calculations for the Li atom are reported.

Original language	English
Pages (from-to)	835
Number of pages	1
Journal	The Journal of Chemical Physics
Volume	48
Issue number	2
DOIs	https://doi.org/10.1063/1.1668721
State	Published - 1968
Externally published	Yes

Access to Document

10.1063/1.1668721

Cite this

@article{95f04712f72e4521b1be6d34a6588295,

title = "Calculation of extended hartree-fock wavefunctions",

abstract = "It is shown that an extended Hartree-Fock (EHF) function, obtained by applying a projection operator 0 to a Hartree product φ with subsequent optimization, has vanishing matrix elements of the operator H-EI with all its singly excited states. A method for obtaining the EHF function using this property is described. Calculations for the Li atom are reported.",

author = "Kaldor, {U. Z.I.}",

year = "1968",

doi = "10.1063/1.1668721",

language = "אנגלית",

volume = "48",

pages = "835",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "2",

}

TY - JOUR

T1 - Calculation of extended hartree-fock wavefunctions

AU - Kaldor, U. Z.I.

PY - 1968

Y1 - 1968

N2 - It is shown that an extended Hartree-Fock (EHF) function, obtained by applying a projection operator 0 to a Hartree product φ with subsequent optimization, has vanishing matrix elements of the operator H-EI with all its singly excited states. A method for obtaining the EHF function using this property is described. Calculations for the Li atom are reported.

AB - It is shown that an extended Hartree-Fock (EHF) function, obtained by applying a projection operator 0 to a Hartree product φ with subsequent optimization, has vanishing matrix elements of the operator H-EI with all its singly excited states. A method for obtaining the EHF function using this property is described. Calculations for the Li atom are reported.

UR - http://www.scopus.com/inward/record.url?scp=0042741143&partnerID=8YFLogxK

U2 - 10.1063/1.1668721

DO - 10.1063/1.1668721

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0042741143

SN - 0021-9606

VL - 48

SP - 835

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 2

ER -

Calculation of extended hartree-fock wavefunctions

Abstract

Access to Document

Other files and links

Fingerprint

Cite this