VARIATIONAL CALCULATION OF LOW-LYING AND EXCITED VIBRATIONAL LEVELS OF WATER MOLECULE

被引:109
作者
WHITEHEAD, RJ [1 ]
HANDY, NC [1 ]
机构
[1] UNIV CAMBRIDGE,CHEM LABS,DEPT THEORET CHEM,LENSFIELD RD,CAMBRIDGE CB2 1EW,ENGLAND
关键词
D O I
10.1016/0022-2852(76)90026-6
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:459 / 469
页数:11
相关论文
共 19 条
[11]  
ROSENBERG BJ, 1974, MOLECULAR STRUCTURE
[12]  
SMITH FD, 1972, SPECTROCHIM ACTA A, V28, P471
[13]   ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES FROM SPECTROSCOPIC DATA [J].
SORBIE, KS ;
MURRELL, JN .
MOLECULAR PHYSICS, 1975, 29 (05) :1387-1407
[14]  
STENGER F, 1971, MATH COMPUT, V25, P935
[15]   GEOMETRY OPTIMIZATION IN COMPUTATION OF BARRIERS TO INTERNAL ROTATION [J].
STEVENS, RM .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) :1397-&
[16]  
Stroud A. H., 1971, APPROXIMATE CALCULAT
[17]   SIMPLIFICATION OF MOLECULAR VIBRATION-ROTATION HAMILTONIAN [J].
WATSON, JKG .
MOLECULAR PHYSICS, 1968, 15 (05) :479-&
[18]   VARIATIONAL CALCULATION OF VIBRATION-ROTATION ENERGY-LEVELS FOR TRIATOMIC-MOLECULES [J].
WHITEHEAD, RJ ;
HANDY, NC .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) :356-373
[19]  
ATMOL SERIES PROGRAM