ON THE NUMERICAL-SOLUTION OF COUPLED EIGENVALUE DIFFERENTIAL-EQUATIONS ARISING IN MOLECULAR-SPECTROSCOPY

被引：10

作者：

FRIEDMAN, RS ^{[1
]}

JAMIESON, MJ ^{[1
]}

PRESTON, SC ^{[1
]}

机构：

[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1990年 / 58卷 / 1-2期

关键词：

D O I：

10.1016/0010-4655(90)90132-K

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

A method for solving coupled eigenvalue differential equations is given and its relation to an existing technique is shown. Use of the Gram-Schmidt process to overcome the severe instabilities arising in molecular problems is described in detail. © 1990.

引用

收藏

页码：17 / 23

页数：7

相关论文

共 15 条

[1] MODEL POTENTIALS FOR MULTICHANNEL EIGENVALUE PROBLEMS [J].

FRIEDMAN, RS ;

JAMIESON, MJ .

COMPUTER PHYSICS COMMUNICATIONS, 1989, 55 (02) :137-140

[2] NEW METHOD FOR CONSTRUCTING WAVEFUNCTIONS FOR BOUND STATES AND SCATTERING [J].

GORDON, RG .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01) :14-&

[3] A COMMENT ON THE USE AND ACCURACY OF THE RICHARDSON DEFERRED APPROACH TO THE LIMIT [J].

JAMIESON, MJ .

COMPUTER PHYSICS COMMUNICATIONS, 1988, 50 (03) :289-292

[4] RENORMALIZED NUMEROV METHOD APPLIED TO CALCULATING BOUND-STATES OF COUPLED-CHANNEL SCHROEDINGER EQUATION [J].

JOHNSON, BR .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4678-4688

[5]

JOHNSON BR, 1977, J CHEM PHYS, V67, P4086, DOI 10.1063/1.435384

[6] 2 PHOTON RESONANCE ENHANCED MULTIPHOTON IONIZATION SPECTROSCOPY OF GAS-PHASE O2 ALPHA-1-DELTA-G BETWEEN 305-350 NM [J].

JOHNSON, RD ;

LONG, GR ;

HUDGENS, JW .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (04) :1977-1981

[7]

Lefebvre-Brion H., 1986, PERTURBATIONS SPECTR

[8]

Melkanoff M., 1966, METHODS COMPUT PHYS, V6, P1

[9]

Press W. H., 1986, ART SCI COMPUTING

[10] OPTICAL-SPECTRA OF THE LOWEST-PI-G RYDBERG STATES IN O-2 [J].

SUR, A ;

RAMANA, CV ;

COLSON, SD .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (02) :904-905