GENERAL PSEUDOPOTENTIAL MODEL FOR MOLECULES WITH MANY VALENCE-ELECTRONS

被引:39
作者
DIXON, RN [1 ]
HUGO, JMV [1 ]
机构
[1] UNIV BRISTOL, SCH CHEM, BRISTOL BS8 1TS, ENGLAND
关键词
D O I
10.1080/00268977500100821
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:953 / 970
页数:18
相关论文
共 41 条
[31]   STUDIES OF VALENCE AND CORE ELECTRON BINDING-ENERGIES BY A VALENCE-ELECTRON MOLECULAR-ORBITAL THEORY BASED ON MODEL POTENTIALS [J].
SCHWARTZ, ME .
FARADAY DISCUSSIONS, 1972, 54 :21-25
[32]   THEORETICAL STUDY OF BARRIERS TO INTERNAL ROTATION IN HYDROGEN PERSULFIDE, HSSH [J].
SCHWARTZ, ME .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (10) :4182-&
[33]  
Siegbahn K., 1969, ESCA APPL FREE MOL
[34]   SMALL GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS [J].
STEWART, RF .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01) :431-&
[35]   SEMIEMPIRICAL PSEUDOPOTENTIAL SURFACES FOR CHEMICAL REACTIONS - (AB)+X-DIALKALI HALIDE SYSTEMS [J].
STRUVE, WS .
MOLECULAR PHYSICS, 1973, 25 (04) :777-803
[36]   ATOMIC AND MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIAL METHOD .2. EXACT PSEUDOPOTENTIALS FOR LI NA K RB BE+ MG+ CA+ AL++ CU AND ZN+ [J].
SZASZ, L ;
MCGINN, G .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) :3495-&
[37]   ATOMIC AND MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIAL METHOD .3. THEORY OF LI2 NA2 K2 LIH NAH AND KH [J].
SZASZ, L ;
MCGINN, G .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (07) :2997-&
[38]   Barrier to internal rotation in hydrogen persulphide [J].
Veillard, A. ;
Demuynck, J. .
CHEMICAL PHYSICS LETTERS, 1970, 4 (08) :476-478
[39]  
Weeks J. D., 1969, ADV CHEM PHYS, V16, P283
[40]   USE OF PSEUDOPOTENTIALS IN ATOMIC-STRUCTURE CALCULATIONS [J].
WEEKS, JD ;
RICE, SA .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) :2741-&