QUADRATIC STEEPEST DESCENT ON POTENTIAL-ENERGY SURFACES .4. ADAPTATION TO SINGULAR HESSIANS

被引:13
作者
RUEDENBERG, K [1 ]
SUN, JQ [1 ]
机构
[1] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
关键词
D O I
10.1063/1.467123
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:6101 / 6101
页数:1
相关论文
共 3 条
[1]   QUADRATIC STEEPEST DESCENT ON POTENTIAL-ENERGY SURFACES .2. REACTION-PATH FOLLOWING WITHOUT ANALYTIC HESSIANS [J].
SUN, JQ ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (07) :5269-5275
[2]   QUADRATIC STEEPEST DESCENT ON POTENTIAL-ENERGY SURFACES .3. MINIMA SEEKING ALONG STEEPEST DESCENT LINES [J].
SUN, JQ ;
RUEDENBERG, K ;
ATCHITY, GJ .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (07) :5276-5280
[3]   QUADRATIC STEEPEST DESCENT ON POTENTIAL-ENERGY SURFACES .1. BASIC FORMALISM AND QUANTITATIVE ASSESSMENT [J].
SUN, JQ ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (07) :5257-5268