RELATIVISTIC AND NONRELATIVISTIC HARTREE-FOCK ONE-CENTER EXPANSION CALCULATIONS FOR SERIES CH4 TO PBH4 WITHIN SPHERICAL APPROXIMATION

被引:106
作者
DESCLAUX, JP
PYYKKO, P
机构
[1] INST LAUE LANGEVIN,F-38042 GRENOBLE,FRANCE
[2] UNIV JYVASKYLA,DEPT PHYS,SF-40720 JYVASKYLA 72,FINLAND
[3] UNIV PARIS 11,CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
关键词
D O I
10.1016/0009-2614(74)85085-2
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:534 / 539
页数:6
相关论文
共 30 条
[1]   A ONE-CENTRE SCF WAVE FUNCTION FOR THE METHANE MOLECULE [J].
ALBASINY, EL ;
COOPER, JRA .
MOLECULAR PHYSICS, 1961, 4 (05) :353-368
[2]   ELECTRONIC STRUCTURE AND PROPERTIES OF IONS ALH-4 AND PH+4 [J].
ALBASINY, EL ;
COOPER, JRA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1966, 88 (560P) :315-&
[3]   A ONE-CENTRE STUDY OF SILANE MOLECULE [J].
ALBASINY, EL ;
COOPER, JRA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1965, 85 (548P) :1133-&
[4]   CALCULATION OF ELECTRONIC PROPERTIES OF BH4-, CH4 AND NH4+ USING 1-CENTRE SELF-CONSISTENT FIELD WAVE FUNCTIONS [J].
ALBASINY, EL ;
COOPER, JRA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1963, 82 (526) :289-&
[5]  
Bishop D.M., 1967, ADV QUANTUM CHEM, VVolume 3, P25, DOI 10.1016/S0065-3276(08)60086-6
[6]   RELATIVISTIC ATOMIC WAVE FUNCTIONS [J].
DESCLAUX, JP ;
MAYERS, DF ;
OBRIEN, F .
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1971, 4 (05) :631-&
[7]  
Grant I. P., 1970, Advances in Physics, V19, P747, DOI 10.1080/00018737000101191
[8]   OCE-CALCULATIONS ON GERMANIUM HYDRIDES OF TYPE GEHN, GEH+N AND GEH-N (N=3,4 OR 5) [J].
HARTMANN, H ;
PAPULA, L ;
STREHL, W .
THEORETICA CHIMICA ACTA, 1970, 19 (02) :155-&
[9]   OCE-CALCAULATIONS WITH MINIMAL STO-SETS ON TIN HYDRIDES OF TYPE SNHN, SNHN+ AND SNHN-(N=3,4OR5) [J].
HARTMANN, H ;
PAPULA, L ;
STREHL, W .
THEORETICA CHIMICA ACTA, 1971, 21 (01) :69-&
[10]  
HAYES EF, 1967, PROGR THEORET PHYS S, V40, P78