CONSTRUCTION OF AN EFFECTIVE HAMILTONIAN FOR OPEN-SHELL MOLECULAR-SYSTEMS

被引:4
作者
BISKUPIC, S [1 ]
KVASNICKA, V [1 ]
机构
[1] SLOVAK UNIV TECHNOL BRATISLAVA, FAC CHEM, DEPT MATH, CS-88037 BRATISLAVA, CZECHOSLOVAKIA
关键词
D O I
10.1002/qua.560210310
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:633 / 645
页数:13
相关论文
共 20 条
[1]   ELECTRONIC-STRUCTURE OF THE FORMYL RADICAL HCO [J].
ADAMS, GF ;
BENT, GD ;
PURVIS, GD ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (09) :3697-3702
[2]   SINGLE DETERMINANT WAVE FUNCTIONS [J].
AMOS, AT ;
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+
[3]   MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].
BARTLETT, RJ ;
PURVIS, GD .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581
[4]   MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265
[5]  
BISKUPIC S, 1979, THEOR CHIM ACTA, V54, P15
[6]   DERIVATION OF THE BRUECKNER MANY-BODY THEORY [J].
GOLDSTONE, J .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1957, 239 (1217) :267-279
[7]   CORRELATION ENERGY OF OPEN-SHELL SYSTEMS - APPLICATION OF THE MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM [J].
HUBAC, I ;
CARSKY, P .
PHYSICAL REVIEW A, 1980, 22 (06) :2392-2399
[8]   PERTURBATION THEORY OF LARGE QUANTUM SYSTEMS [J].
HUGENHOLTZ, NM .
PHYSICA, 1957, 23 (06) :481-532
[9]   STUDY OF POTENTIAL CURVES BY UHF-TYPE METHODS .1. DISSOCIATION LIMITS OF DIATOMIC-MOLECULES [J].
KLIMO, V ;
TINO, J .
MOLECULAR PHYSICS, 1980, 41 (03) :477-481
[10]   SPIN-EXTENDED HARTREE-FOCK CALCULATION FOR HYDROCARBON PI-RADICALS [J].
KLIMO, V ;
TINO, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (05) :761-769