Stochastic gradient approximation: An efficient method to optimize many-body wave functions

被引：61

作者：

Harju, A ^{[1
]}

Barbiellini, B ^{[1
]}

Siljamaki, S ^{[1
]}

Nieminen, RM ^{[1
]}

Ortiz, G ^{[1
]}

机构：

[1] UNIV ILLINOIS,DEPT PHYS,URBANA,IL 61801

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 79卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.79.1173

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A novel, efficient optimization method for physical problems is presented. The method utilizes the noise inherent in stochastic functions. As an application, an algorithm for the variational optimization of quantum many-body wave functions is derived. The numerical results indicate superior performance when compared to traditional techniques.

引用

收藏

页码：1173 / 1177

页数：5

相关论文

共 18 条

[1] ELECTRON LIQUID IN COLLECTIVE DESCRIPTION .3. POSITRON-ANNIHILATION [J].

ARPONEN, J ;

PAJANNE, E .

ANNALS OF PHYSICS, 1979, 121 (1-2) :343-389

[2] ELECTRON-POSITRON DENSITY-FUNCTIONAL THEORY [J].

BORONSKI, E ;

NIEMINEN, RM .

PHYSICAL REVIEW B, 1986, 34 (06) :3820-3831

[3] Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic molecules [J].

Filippi, C ;

Umrigar, CJ .

JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (01) :213-226

[4] QUANTUM MONTE-CARLO DETERMINATION OF ELECTRONIC AND STRUCTURAL-PROPERTIES OF SI-N CLUSTERS (N-LESS-THAN-OR-EQUAL-TO-20) [J].

GROSSMAN, JC ;

MITAS, L .

PHYSICAL REVIEW LETTERS, 1995, 74 (08) :1323-1326

[5] Stability of light positronic atoms: Quantum Monte Carlo studies [J].

Harju, A ;

Barbiellini, B ;

Nieminen, RM .

PHYSICAL REVIEW A, 1996, 54 (06) :4849-4853

[6] Correlation effects in positron-electron systems: A quantum Monte-Carlo study [J].

Harju, A ;

Barbiellini, B ;

Siljamaki, S ;

Nieminen, RM ;

Ortiz, G .

JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY-ARTICLES, 1996, 211 (01) :193-202

[7] WORK FUNCTIONS FOR POSITRONS IN METALS [J].

HODGES, CH ;

STOTT, MJ .

PHYSICAL REVIEW B, 1973, 7 (01) :73-79

[8]

JAIN PC, 1985, POSITRON ANNIHILATIO

[9] THE CORRELATION-ENERGY OF THE SPIN-POLARIZED UNIFORM ELECTRON-GAS [J].

ORTIZ, G ;

BALLONE, P .

EUROPHYSICS LETTERS, 1993, 23 (01) :7-13

[10] CORRELATION-ENERGY, STRUCTURE FACTOR, RADIAL-DISTRIBUTION FUNCTION, AND MOMENTUM DISTRIBUTION OF THE SPIN-POLARIZED UNIFORM ELECTRON-GAS [J].

ORTIZ, G ;

BALLONE, P .

PHYSICAL REVIEW B, 1994, 50 (03) :1391-1405