On directly solving radial Schrodinger equation for the ground states of two electron atoms or ions by genetic algorithm

被引：3

作者：

Saha, R ^{[1
]}

Bhattacharyya, SP ^{[1
]}

机构：

[1] Indian Assoc Cultivat Sci, Dept Phys Chem, Kolkata 700032, W Bengal, India

来源：

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY | 2004年 / 3卷 / 03期

关键词：

numerical solution of Schrodinger equation; genetic algorithm and SE; CA and solution of radial SE; stochastic solution of SE; helium isoelectronic systems; evolution programming; quantum mechanics;

D O I：

10.1142/S0219633604001070

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A recipe is proposed for solving the radial Schrodinger equation (SE) for two electron atoms and ions in their ground states by genetic algorithm (GA). The recipe is tested for the isoelectronic series of H-, He, Li+, Be2+ atoms and ions. The strong and weak features of the method are analyzed, and possible directions of improvement suggested.

引用

页码：325 / 337

页数：13

共 14 条

[1] Numerical solutions of the Schrodinger equation directly or perturbatively by a genetic algorithm: test cases [J].

Chaudhury, P ;

Bhattacharyya, SP .

CHEMICAL PHYSICS LETTERS, 1998, 296 (1-2) :51-60

[2] RADIAL LIMIT IN CONFIGURATION-INTERACTION METHOD FOR 11S STATE OF HELIUM ISOELECTRONIC SEQUENCE [J].

DAVIS, HL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (07) :1827-&

[3]

Goldberg D. E., 2013, Genetic Algorithms

[4]

Holland J. H, 1998, ADAPTATION NATURAL A

[5] TIME-DEPENDENT QUANTUM-MECHANICAL METHODS FOR MOLECULAR-DYNAMICS [J].

KOSLOFF, R .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (08) :2087-2100

[6] Using genetic programming to solve the Schrodinger equation [J].

Makarov, DE ;

Metiu, H .

JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (37) :8540-8545

[7] Fitting potential-energy surfaces: A search in the function space by directed genetic programming [J].

Makarov, DE ;

Metiu, H .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (02) :590-598

[8]

MICHAELWICZ Z, 1995, GENETIC ALGORITHMS D

[9] Numerical solution of the Schrodinger equation by a microgenetic algorithm [J].

Nakanishi, H ;

Sugawara, M .

CHEMICAL PHYSICS LETTERS, 2000, 327 (5-6) :429-438

[10] CORRELATED ORBITALS FOR THE GROUND STATE OF HELIUMLIKE SYSTEMS [J].

ROOTHAAN, CCJ ;

WEISS, AW .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :194-205

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