SOLUTION OF THE SCHRODINGER-EQUATION FOR A DOUBLE MINIMUM POTENTIAL

被引:1
作者
GOORVITCH, D [1 ]
GALANT, DC [1 ]
机构
[1] NASA,AMES RES CTR,DIV INFORMAT SYST,MOFFETT FIELD,CA 94035
关键词
D O I
10.1016/0022-4073(92)90064-B
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We apply Richardson's extrapolation to zero mesh size to calculate the dissociation energies and wavefunctions of a double minimum potential curve for the E,F1SIGMA(g)+ state of H-2. We demonstrate that a double minimum potential presents no difficulties and that this extrapolation method is to be preferred over a quadratic extrapolation or the use of a basis expansion.
引用
收藏
页码:467 / 468
页数:2
相关论文
共 7 条
[1]   SCHRODINGERS RADIAL EQUATION - SOLUTION BY EXTRAPOLATION [J].
GOORVITCH, D ;
GALANT, DC .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 1992, 47 (05) :391-399
[2]   THE SOLUTION OF COUPLED SCHRODINGER-EQUATIONS USING AN EXTRAPOLATION METHOD [J].
GOORVITCH, D ;
GALANT, DC .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 1992, 47 (06) :505-513
[3]   THEORETICAL INVESTIGATION OF LOWEST DOUBLE-MINIMUM STATE E,F1SIGMAG+ OF HYDROGEN MOLECULE [J].
KOLOS, W ;
WOLNIEWICZ, L .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (08) :3228-+
[4]   THEORETICAL ANALYSIS OF VIBRATIONAL STRUCTURE OF ELECTRONIC-TRANSITIONS INVOLVING A STATE WITH DOUBLE MINIMUM - E,F SIGMA-1-+/G OF H2 [J].
LIN, CS .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (12) :4660-4664
[6]   EIGENVALUE PROBLEM FOR A DOUBLE MINIMUM POTENTIAL [J].
TOBIN, FL ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (02) :1034-1035