QUANTUM-CHEMISTRY BY RANDOM-WALK - LINEAR H-3

被引:42
作者
MENTCH, F
ANDERSON, JB
机构
关键词
D O I
10.1063/1.447063
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:2675 / 2680
页数:6
相关论文
共 31 条
[1]   QUANTUM-CHEMISTRY BY RANDOM-WALK - METHOD OF SUCCESSIVE CORRECTIONS [J].
ANDERSON, JB ;
FREIHAUT, BH .
JOURNAL OF COMPUTATIONAL PHYSICS, 1979, 31 (03) :425-437
[2]   QUANTUM-CHEMISTRY BY RANDOM-WALK - HIGHER ACCURACY [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (08) :3897-3899
[3]   RANDOM-WALK SIMULATION OF SCHRODINGER EQUATION - H+3 [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (04) :1499-1503
[4]   QUANTUM CHEMISTRY BY RANDOM-WALK - H-4 SQUARE [J].
ANDERSON, JB .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 15 (01) :109-120
[5]   MIXED BASIS FUNCTIONS IN MOLECULAR QUANTUM-MECHANICS .3. LINEAR SYMMETRIC H-3 MOLECULE [J].
BACSKAY, GB ;
LINNETT, JW .
THEORETICA CHIMICA ACTA, 1972, 26 (01) :23-&
[6]   REDUCED DIMENSIONALITY QUANTUM RATE CONSTANTS FOR THE D+H-2(V=0) AND D+H-2(V=1) REACTIONS ON THE LSTH SURFACE [J].
BOWMAN, JM ;
LEE, KT ;
WALKER, RB .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (08) :3742-3745
[7]  
CEPERLEY DM, 1979, COMMUNICATION
[8]   The Approximations Involved in Calculations of Atomic Interaction and Activation Energies [J].
Coolidge, Albert Sprague ;
James, Hubert M. .
JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (11)
[9]   GENERALIZED TRANSITION-STATE THEORY CALCULATIONS FOR THE REACTIONS D+H2 AND H+D2 USING AN ACCURATE POTENTIAL-ENERGY SURFACE - EXPLANATION OF THE KINETIC ISOTOPE EFFECT [J].
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) :3460-3471
[10]   RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2) [J].
GARRETT, BC ;
TRUHLAR, DG .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (10) :4755-4759