CHOOSING POINTS IN POTENTIAL-ENERGY SURFACES FOR FITTING POLYNOMIAL FUNCTIONS - APPLICATION OF PERMUTATIONAL SYMMETRY

被引:27
作者
VARANDAS, AJC [1 ]
MURRELL, JN [1 ]
机构
[1] UNIV SUSSEX,SCH MOLEC SCI,BRIGHTON BN1 9QJ,E SUSSEX,ENGLAND
关键词
D O I
10.1016/0009-2614(81)80381-8
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:440 / 445
页数:6
相关论文
共 5 条
[1]   INVARIANT FUNCTIONS AND HOMOGENEOUS BASES OF IRREDUCIBLE REPRESENTATIONS OF CRYSTAL POINT GROUPS, WITH APPLICATIONS TO THERMODYNAMIC PROPERTIES OF CRYSTALS UNDER STRAIN [J].
MCLELLAN, AG .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1974, 7 (18) :3326-3340
[2]   ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES FROM SPECTROSCOPIC DATA .2. APPLICATION TO OZONE [J].
MURRELL, JN ;
SORBIE, KS ;
VARANDAS, AJC .
MOLECULAR PHYSICS, 1976, 32 (05) :1359-1372
[3]   ACCURATE 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-3 [J].
SIEGBAHN, P ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2457-2465
[4]   MANY-BODY EXPANSION OF POLYATOMIC POTENTIAL-ENERGY SURFACES - APPLICATION TO HN SYSTEMS [J].
VARANDAS, AJC ;
MURRELL, JN .
FARADAY DISCUSSIONS, 1977, 62 :92-109
[5]   LEPS POTENTIAL FOR H-3 FROM FORCE-FIELD DATA [J].
VARANDAS, AJC .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (08) :3786-3795