ATOMIC AND MOLECULAR CORRELATION ENERGIES WITH EXPLICITLY CORRELATED GAUSSIAN GEMINALS .5. CARTESIAN GAUSSIAN GEMINALS AND THE NEON ATOM

被引:76
作者
WENZEL, KB
ZABOLITZKY, JG
SZALEWICZ, K
JEZIORSKI, B
MONKHORST, HJ
机构
[1] UNIV MINNESOTA, DEPT PHYS, MINNEAPOLIS, MN 55455 USA
[2] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
[3] UNIV WARSAW, DEPT CHEM, PL-02093 WARSAW, POLAND
[4] UNIV FLORIDA, DEPT CHEM, QUANTUM THEORY PROJECT, GAINESVILLE, FL 32611 USA
关键词
D O I
10.1063/1.450918
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:3964 / 3974
页数:11
相关论文
共 45 条
[21]   CORRELATION ENERGY OF NEON ATOM [J].
LEE, T ;
DUTTA, NC ;
DAS, TP .
PHYSICAL REVIEW A, 1971, 4 (04) :1410-&
[22]   NUMERICAL COUPLED-CLUSTER PROCEDURE APPLIED TO THE CLOSED-SHELL ATOMS BE AND NE [J].
LINDGREN, I ;
SALOMONSON, S .
PHYSICA SCRIPTA, 1980, 21 (3-4) :335-342
[23]  
LINDGREN I, 1982, ATOMIC MANY BODY THE
[24]  
MONKHORST HJ, 1985, COMP AB INITIO QUANT, P463
[25]   ATOMIC BETHE-GOLDSTONE EQUATIONS .3. CORRELATION ENERGIES OF GROUND STATES OF BE,B,C,N,O,F, AND NE [J].
NESBET, RK .
PHYSICAL REVIEW, 1968, 175 (01) :2-&
[26]   COUPLED-CLUSTER APPROACH TO ELECTRON CORRELATION IN ONE DIMENSION - CYCLIC POLYENE MODEL IN DELOCALIZED BASIS [J].
PALDUS, J ;
TAKAHASHI, M ;
CHO, RWH .
PHYSICAL REVIEW B, 1984, 30 (08) :4267-4291
[27]   CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS .5. SPIN-ADAPTED COUPLED CLUSTER MANY-ELECTRON THEORY [J].
PALDUS, J .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (01) :303-318
[28]   APPROXIMATE ACCOUNT OF THE CONNECTED QUADRUPLY EXCITED CLUSTERS IN THE COUPLED-PAIR MANY-ELECTRON THEORY [J].
PALDUS, J ;
CIZEK, J ;
TAKAHASHI, M .
PHYSICAL REVIEW A, 1984, 30 (05) :2193-2209
[29]   CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS .4. EXTENDED COUPLED-PAIR MANY-ELECTRON THEORY AND ITS APPLICATION TO BH3 MOLECULE [J].
PALDUS, J ;
SHAVITT, I ;
CIZEK, J .
PHYSICAL REVIEW A, 1972, 5 (01) :50-&
[30]  
PALDUS J, 1983, NEW HORIZONS QUANTUM, P31