ON CORRELATION TREATMENTS OF THE NICKEL ATOM

被引:36
作者
ROHLFING, CM
MARTIN, RL
机构
关键词
D O I
10.1016/0009-2614(85)80111-1
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 ;
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页码:104 / 107
页数:4
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共 12 条
[1]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[2]   ON CORRELATION IN THE 1ST ROW TRANSITION-METAL ATOMS [J].
BAUSCHLICHER, CW ;
WALCH, SP ;
PARTIDGE, H .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (02) :1033-1039
[3]  
BINKLEY JS, GAUSSIAN 82
[4]   VALENCE CORRELATION IN THE S2DN, SDN+1, AND DN+2 STATES OF THE 1ST-ROW TRANSITION-METAL ATOMS [J].
BOTCH, BH ;
DUNNING, TH ;
HARRISON, JF .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) :3466-3476
[5]   GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J].
HAY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4377-4384
[6]   RELATIVISTIC CONTRIBUTIONS TO THE LOW-LYING EXCITATION-ENERGIES AND IONIZATION-POTENTIALS OF THE TRANSITION-METALS [J].
MARTIN, RL ;
HAY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (09) :4539-4545
[7]   ELECTRON CORRELATION IN THE NICKEL ATOM [J].
MARTIN, RL .
CHEMICAL PHYSICS LETTERS, 1980, 75 (02) :290-293
[8]  
MOORE CE, 1952, NBS467 AT EN LEV CIR, V2
[9]   GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS [J].
WACHTERS, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) :1033-&
[10]  
Werner H.-J., COMMUNICATION