An evolutionary algorithm to calculate the ground state of a quantum system

被引:19
作者
Grigorenko, I
Garcia, ME
机构
[1] Free Univ Berlin, Inst Theoret Phys, D-14195 Berlin, Germany
[2] Univ Valladolid, Dept Fis Teor, E-47011 Valladolid, Spain
关键词
genetic algorithms; quantum mechanics;
D O I
10.1016/S0378-4371(00)00218-1
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a new method based on evolutionary algorithms which permits to determine efficiently the ground state of the time-independent Schrodinger equation for arbitrary external potentials. The approach relies on the variational principle. The ground-state wave function of a given Hamiltonian is found by using the procedure of survival of the fittest, starting from a population of wave functions. To perform the search for the fittest wave function we have extended a genetic algorithm to treat quantum mechanical problems. We present results for different one dimensional external potentials and compare them with analytical solutions and with other numerical methods. Our approach yields very good convergence in all cases, Potential applications of the quantum genetic algorithm presented here to more dimensions and many-body problems are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:131 / 139
页数:9
相关论文
共 20 条
[1]   The Wigner molecule in a 2D quantum dot [J].
Akman, N ;
Tomak, M .
PHYSICA E, 1999, 4 (04) :277-285
[2]  
[Anonymous], 1978, PATTERN DIRECTED INF
[3]   Stepwise explosion of atomic clusters induced by a strong laser field [J].
Brewczyk, M ;
Clark, CW ;
Lewenstein, M ;
Rzazewski, K .
PHYSICAL REVIEW LETTERS, 1998, 80 (09) :1857-1860
[4]   Interacting electrons in polygonal quantum dots [J].
Creffield, CE ;
Häusler, W ;
Jefferson, JH ;
Sarkar, S .
PHYSICAL REVIEW B, 1999, 59 (16) :10719-10724
[5]   MOLECULAR-GEOMETRY OPTIMIZATION WITH A GENETIC ALGORITHM [J].
DEAVEN, DM ;
HO, KM .
PHYSICAL REVIEW LETTERS, 1995, 75 (02) :288-291
[6]   SOLUTION OF THE SCHRODINGER-EQUATION BY A SPECTRAL METHOD [J].
FEIT, MD ;
FLECK, JA ;
STEIGER, A .
JOURNAL OF COMPUTATIONAL PHYSICS, 1982, 47 (03) :412-433
[7]  
FORNBERG B, 1994, ACTA NUMER, P203
[8]   Lowest energy structures of gold nanoclusters [J].
Garzon, IL ;
Michaelian, K ;
Beltran, MR ;
Posada-Amarillas, A ;
Ordejon, P ;
Artacho, E ;
Sanchez-Portal, D ;
Soler, JM .
PHYSICAL REVIEW LETTERS, 1998, 81 (08) :1600-1603
[9]  
GRIGORENKO I, UNPUB
[10]  
Holland J., 1992, ADAPTATION NATURAL A