CALCULATION OF BRUECKNER ORBITALS AND GENERALIZED NATURAL ORBITALS

被引:5
作者
KVASNICKA, V [1 ]
机构
[1] SLOVAK UNIV TECHNOL BRATISLAVA, DEPT ORG CHEM, 880 37 BRATISLAVA, CZECHOSLOVAKIA
来源
THEORETICA CHIMICA ACTA | 1975年 / 36卷 / 04期
关键词
D O I
10.1007/BF00549693
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
引用
收藏
页码:297 / 308
页数:12
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共 48 条
[21]  
KOBR M, 1972, THESIS CHARLES U
[22]   ON DIFFERENT CRITERIA FOR BEST INDEPENDENT-PARTICLE MODEL APPROXIMATION [J].
KUTZELNIGG, W ;
SMITH, VH .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (03) :896-&
[23]  
KUTZELNIGG W, 1964, 130 QUANT CHEM GROUP
[24]   CALCULATION OF SINGLET AND TRIPLET EXCITATION-ENERGIES, IONIZATION-POTENTIALS, AND ELECTRON AFFINITIES OF CLOSED-SHELL SYSTEMS BY MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY [J].
KVASNICKA, V ;
HUBAC, I .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4483-4487
[25]   APPLICATION OF RAYLEIGH-SCHRODINGER PERTURBATION-THEORY TO CALCULATION OF EXCITATION-ENERGIES [J].
KVASNICKA, V ;
HOLUBEC, A ;
HUBAC, I .
CHEMICAL PHYSICS LETTERS, 1974, 24 (03) :361-365
[26]   CONSTRUCTION OF MODEL HAMILTONIANS IN FRAMEWORK OF RAYLEIGH-SCHRODINGER PERTURBATION-THEORY [J].
KVASNICKA, V .
CZECHOSLOVAK JOURNAL OF PHYSICS, 1974, B 24 (06) :605-615
[27]   ANALYSIS OF 2S GROUND STATE OF LITHIUM IN TERMS OF NATURAL AND BEST OVERLAP (BRUECKNER) SPIN ORBITALS WITH IMPLICATIONS FOR FERMI CONTACT TERM [J].
LARSSON, S ;
SMITH, VH .
PHYSICAL REVIEW, 1969, 178 (01) :137-&
[28]   A method of obtaining Brueckner orbitals for atoms and molecules [J].
Larsson, S. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (02) :165-170