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
收藏
页码：2392 / 2399
页数：8
相关论文
共 50 条
  • [21] BRILLOUIN-WIGNER PERTURBATION-THEORY AS A POSSIBLE MORE EFFECTIVE ALTERNATIVE TO MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY AND COUPLED-CLUSTER THEORY
    CARSKY, P
    HROUDA, V
    SYCHROVSKY, V
    HUBAC, I
    BABINEC, P
    MACH, P
    URBAN, J
    MASIK, J
    COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1995, 60 (09) : 1419 - 1428
  • [22] Relativistic many-body perturbation calculations for open-shell systems
    Ishikawa, Y
    Koc, K
    PHYSICAL REVIEW A, 1997, 56 (02): : 1295 - 1304
  • [23] RESTRICTED HARTREE-FOCK AND UNRESTRICTED HARTREE-FOCK AS REFERENCE STATES IN MANY-BODY PERTURBATION-THEORY - A CRITICAL COMPARISON OF THE 2 APPROACHES
    CARSKY, P
    HUBAC, I
    THEORETICA CHIMICA ACTA, 1991, 80 (4-5): : 407 - 425
  • [24] Relativistic many-body perturbation calculations for open-shell systems
    Ishikawa, Yasuyuki
    Koc, Konrad
    Physical Review A. Atomic, Molecular, and Optical Physics, 1997, 56 (02):
  • [25] MULTICONFIGURATION HARTREE-FOCK METHOD AND MANY-BODY PERTURBATION-THEORY - A UNIFIED APPROACH
    MORRISON, JC
    FISCHER, CF
    PHYSICAL REVIEW A, 1987, 35 (06): : 2429 - 2439
  • [26] UBMBPT UNRESTRICTED HARTREE-FOCK MANY-BODY PERTURBATION-THEORY PROGRAM IN C
    TOMASIC, ZA
    COMPUTERS & CHEMISTRY, 1993, 17 (03): : 245 - 256
  • [27] CALCULATION OF CORRELATION ENERGY BY MANY-BODY DIAGRAMMATIC PERTURBATION-THEORY
    KVASNICKA, V
    LAURINC, V
    THEORETICA CHIMICA ACTA, 1977, 45 (03): : 197 - 203
  • [28] CALCULATION OF SINGLET AND TRIPLET EXCITATION-ENERGIES, IONIZATION-POTENTIALS, AND ELECTRON AFFINITIES OF CLOSED-SHELL SYSTEMS BY MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY
    KVASNICKA, V
    HUBAC, I
    JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11): : 4483 - 4487
  • [29] CALCULATION OF VERTICAL IONIZATION-POTENTIALS OF H2O AND NE BY MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY
    HUBAC, I
    URBAN, M
    THEORETICA CHIMICA ACTA, 1977, 45 (03): : 185 - 195
  • [30] ABINITIO CALCULATIONS OF THE GROUND-STATE POTENTIAL FUNCTION OF THE HYDROXYL ANION BY MEANS OF THE MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY
    KOZAK, I
    SPIRKO, V
    CARSKY, P
    COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1981, 46 (11) : 2595 - 2599
12345