TOEPLITZ MATRICES WITHIN DVR FORMULATION - APPLICATION TO QUANTUM SCATTERING PROBLEMS

被引：12

作者：

EISENBERG, E

RON, S

BAER, M

机构：

[1] Department of Physics and Applied Mathematics, Soreq NRC

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 05期

关键词：

D O I：

10.1063/1.467497

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：

It is shown that the matrix obtained from the infinite order discrete variable representation (DVR) of a scattering problem has the structure of a Toeplitz matrix. The resulting properties can be used to reduce the associated infinite system of algebraic equations to a finite (and relatively small) one. An example is worked out to show the efficiency of the combined Toeplitz DVR approach.

引用

收藏

页码：3802 / 3805

页数：4

相关论文

共 32 条

[1] SOME MATHEMATICAL PROPERTIES OF MAGNETIC-RESONANCE LINE-SHAPES [J].

ALEXANDER, S ;

BARAM, A ;

LUZ, Z .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :992-999

[2]

BACIC Z, 1987, J CHEM PHYS, V86, P3065

[3] HIGHLY EXCITED VIBRATIONAL LEVELS OF FLOPPY TRIATOMIC-MOLECULES - A DISCRETE VARIABLE REPRESENTATION - DISTRIBUTED GAUSSIAN-BASIS APPROACH [J].

BACIC, Z ;

LIGHT, JC .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4594-4604

[4] VARIATIONAL-PRINCIPLES FOR REACTIVE COLLISIONS BASED ON THE GENERALIZED LAGRANGE MULTIPLIER METHOD [J].

BAER, M ;

NAKAMURA, H .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6565-6575

[5] A NEW ACCURATE (TIME-INDEPENDENT) METHOD FOR TREATING REACTIVE COLLISIONS - CONVERSION OF A SCATTERING PROBLEM INTO A BOUND PROBLEM [J].

BAER, M ;

NEUHAUSER, D ;

OREG, Y .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (10) :1721-1727

[6] THE ASYMPTOTIC METHOD AND SPECTRAL LINESHAPES [J].

BARAM, A .

MOLECULAR PHYSICS, 1980, 41 (04) :823-831

[7]

BARAM A, 1983, J PHYS A, V16, pL21

[8] DETERMINATION OF THE BOUND AND QUASI-BOUND STATES OF AR-HCL VANDERWAALS COMPLEX - DISCRETE VARIABLE REPRESENTATION METHOD [J].

CHOI, SE ;

LIGHT, JC .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (04) :2129-2145

[9]

COLBERT DT, 1992, J CHEM PHYS, V96, P1983

[10] THE EXACT CALCULATION OF LONG-RANGE FORCES BETWEEN ATOMS BY PERTURBATION THEORY [J].

DALGARNO, A ;

LEWIS, JT .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 233 (1192) :70-74

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