ON CORRELATION IN THE PD ATOM

被引:18
作者
BAUSCHLICHER, CW [1 ]
机构
[1] POLYATOM RES INST,MT VIEW,CA 94043
关键词
D O I
10.1016/0009-2614(82)87020-6
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:4 / 8
页数:5
相关论文
共 15 条
[1]   ELECTRONIC-STRUCTURE OF TRANSITION-METAL HYDRIDES - NIH AND PDH [J].
BAGUS, PS ;
BJORKMAN, C .
PHYSICAL REVIEW A, 1981, 23 (02) :461-472
[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]  
BENDER CF, 1971, J CHEM PHYS, V55, P7498
[5]   NATURE OF MO-MO AND CR-CR MULTIPLE BONDS - A CHALLENGE FOR THE LOCAL-DENSITY APPROXIMATION [J].
GOODGAME, MM ;
GODDARD, WA .
PHYSICAL REVIEW LETTERS, 1982, 48 (03) :135-138
[6]   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
[7]   GTO BASIS SETS FOR HEAVIER ELEMENTS [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (09) :4245-4245
[8]   CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].
LANGHOFF, SR ;
DAVIDSON, ER .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72
[9]   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
[10]   CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION [J].
MCLEAN, AD ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1066-1078