CORRELATION ENERGY OF OPEN-SHELL SYSTEMS - APPLICATION OF THE MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM

被引：86

作者：

HUBAC, I ^{[1
]}

CARSKY, P ^{[1
]}

机构：

[1] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA

来源：

PHYSICAL REVIEW A | 1980年 / 22卷 / 06期

关键词：

D O I：

10.1103/PhysRevA.22.2392

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：2392 / 2399

页数：8

共 50 条

[1] CORRELATION-ENERGY IN TRIPLET ELECTRONIC STATES - APPLICATION OF THE MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM
CARSKY, P
HUBAC, I
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1981, 46 (06) : 1324 - 1331
[2] MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION CALCULATIONS OF THE CORRELATION-ENERGY OF OPEN-SHELL MOLECULES IN THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM - APPLICATION TO HEATS OF REACTION AND ENERGIES OF ACTIVATION
CARSKY, P
ZAHRADNIK, R
HUBAC, I
URBAN, M
KELLO, V
THEORETICA CHIMICA ACTA, 1980, 56 (04): : 315 - 328
[3] MANY-BODY PERTURBATION-THEORY WITH A RESTRICTED OPEN-SHELL HARTREE-FOCK REFERENCE
LAUDERDALE, WJ
STANTON, JF
GAUSS, J
WATTS, JD
BARTLETT, RJ
CHEMICAL PHYSICS LETTERS, 1991, 187 (1-2) : 21 - 28
[4] RESTRICTED OPEN-SHELL HARTREE-FOCK-BASED MANY-BODY PERTURBATION-THEORY - THEORY AND APPLICATION OF ENERGY AND GRADIENT CALCULATIONS
LAUDERDALE, WJ
STANTON, JF
GAUSS, J
WATTS, JD
BARTLETT, RJ
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (09) : 6606 - 6620
[5] CORRELATION ENERGIES IN OPEN-SHELL SYSTEMS - COMPARISON OF CEPA, PNO-CI AND PERTURBATION TREATMENTS BASED ON THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM
CARSKY, P
HUBAC, I
STAEMMLER, V
THEORETICA CHIMICA ACTA, 1982, 60 (05): : 445 - 450
[6] QUASI-DEGENERATE MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY
KVASNICKA, V
CZECHOSLOVAK JOURNAL OF PHYSICS, 1975, B 25 (04) : 371 - 391
[7] OPEN-SHELL RESTRICTED HARTREE-FOCK PERTURBATION-THEORY - SOME CONSIDERATIONS AND COMPARISONS
LEE, TJ
RENDELL, AP
DYALL, KG
JAYATILAKA, D
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (10) : 7400 - 7409
[8] APPLICATION OF MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY TO CALCULATION OF IONIZATION-POTENTIALS AND ELECTRON AFFINITIES
HUBAC, I
KVASNICKA, V
HOLUBEC, A
CHEMICAL PHYSICS LETTERS, 1973, 23 (03) : 381 - 385
[9] CALCULATION OF CORRELATION ENERGY OF MOLECULES BY MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY UP TO 3RD ORDER
URBAN, M
KELLO, V
HUBAC, I
CHEMICAL PHYSICS LETTERS, 1977, 51 (01) : 170 - 174
[10] APPLICATION OF MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY TO EXCITATIONS ACCOMPANYING PHOTO-IONIZATION IN MOLECULES
HUBAC, I
KVASNICKA, V
CROATICA CHEMICA ACTA, 1977, 49 (04) : 677 - 684

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