On the Hartree-Fock problem

被引：28

作者：

Musher, J. I. ^{[1
]}

机构：

[1] Yeshiva Univ, Belfer Grad Sch Sci, New York, NY 10033 USA

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 7卷 / 04期

关键词：

D O I：

10.1016/0009-2614(70)80318-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Hartree-Fock problem is investigated by examining the symmetry properties of the SCF spin-orbitals. These can be classified as closed-shell, open-shell or general spin-orbitals according to the commutation rules satisfied by their one-electron SCF hamiltonians. The effect of symmetry-breaking in spin, angular momentum and space-group symmetry is considered schematically and the physical implications of such symmetry-breaking are discussed.

引用

页码：397 / 403

页数：7

共 50 条

[1] THE TRIPLET STABILITY OF HARTREE-FOCK PROBLEM SOLUTIONS
ABBASOV, RM
PUPYSHEV, VI
STEPANOV, NF
[J]. VESTNIK MOSKOVSKOGO UNIVERSITETA SERIYA 2 KHIMIYA, 1981, 22 (04): : 351 - 354
[2] HARTREE-FOCK TIME-DEPENDENT PROBLEM
BOVE, A
DAPRATO, G
FANO, G
[J]. COMMUNICATIONS IN MATHEMATICAL PHYSICS, 1976, 49 (01) : 25 - 33
[3] SOLUTIONS TO HARTREE-FOCK PROBLEM FOR ATOMS AND MOLECULES
LIEB, EH
SIMON, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (02): : 735 - 737
[4] NUCLEAR VIBRATIONS AS A CONSTRAINED HARTREE-FOCK PROBLEM
BARTOUV, J
[J]. PHYSICAL REVIEW, 1967, 164 (04): : 1241 - &
[5] Hartree-Fock method
Abarenkov, IV
[J]. COMPUTATIONAL MATERIALS SCIENCE, 2003, 187 : 71 - 101
[6] On Hartree-Fock systems
Gasser, I
[J]. VLSI DESIGN, 1999, 9 (04) : 357 - 364
[7] CONSISTENT SYMMETRIES IN A RIGOROUS APPROACH TO HARTREE-FOCK PROBLEM
CATARA, F
DITORO, M
LOMBARDO, U
[J]. LETTERE AL NUOVO CIMENTO, 1972, 4 (16): : 849 - &
[8] DENSITY-MATRIX APPROACH TO THE HARTREE-FOCK PROBLEM
PELTIER, S
PLASTINO, A
[J]. ZEITSCHRIFT FUR PHYSIK A-HADRONS AND NUCLEI, 1981, 300 (2-3): : 239 - 245
[9] Note on the Hartree and Hartree-Fock methods
Frank, NH
[J]. PHYSICAL REVIEW, 1937, 51 (07): : 577 - 583
[10] SOLUTION TO A PROBLEM IN CONSTRAINED HARTREE-FOCK AND OTHER CALCULATIONS
BASSICHIS, WH
WILETS, L
[J]. PHYSICAL REVIEW LETTERS, 1971, 27 (21) : 1451 - +

← 1 2 3 4 5 →