NUCLEAR CORRECTIONS TO MOLECULAR-PROPERTIES .4. THEORY FOR LOW-LYING VIBRATIONAL-STATES OF POLYATOMIC-MOLECULES WITH APPLICATION TO WATER MOLECULE NEAR HARTREE-FOCK LIMIT

被引:90
作者
KROHN, BJ
ERMLER, WC
KERN, CW
机构
[1] BATTELLE MEM INST, COLUMBUS, OH 43201 USA
[2] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
关键词
D O I
10.1063/1.1680771
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:22 / 33
页数:12
相关论文
共 16 条
[1]  
Amat Gilbert., 1971, Rotation-Vibration of Polyatomic Molecules
[2]   BARRIERS TO LINEARITY IN TRIATOMIC MOLECULES .2. COMPARISON OF CURVILINEAR AND RECTILINEAR MODELS AND DETERMINATION OF BARRIERS IN SOME ELECTRONIC STATES OF HYDROGEN SULFIDE, WATER, AND SULFUR-DIOXIDE [J].
BROWN, FB .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :827-833
[3]  
CARNEY GD, 1972, MOLECULAR STRUCTURE
[4]   ZERO-POINT VIBRATIONAL CORRECTIONS TO ONE-ELECTRON PROPERTIES OF WATER MOLECULE IN NEAR-HARTREE-FOCK LIMIT [J].
ERMLER, WC ;
KERN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4851-&
[5]   ROTATION-VIBRATION SPECTRA OF DEUTERATED WATER VAPOR [J].
GAILAR, N ;
PLYLER, EK .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) :1139-1165
[6]  
Howard B. J., 1970, Molecular Physics, V19, P433, DOI 10.1080/00268977000101471
[7]   NUCLEAR CORRECTIONS TO ELECTRONIC EXPECTATION VALUES - ZERO-POINT VIBRATIONAL EFFECTS IN WATER MOLECULE [J].
KERN, CW ;
MATCHA, RL .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) :2081-&
[8]  
KROHN BJ, 1973, BMIOSU92 TECHN REP
[9]  
MATCHA RL, UNPUBLISHED
[10]   VIBRATION-ROTATION INTERACTION IN POLYATOMIC MOLECULES .1. ZETA-MATRICES [J].
MEAL, JH ;
POLO, SR .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) :1119-1125