Many-Body Nodal Hypersurface and Domain Averages for Correlated Wave Functions

被引：0

作者：

Hu, Shuming ^{[1
]}

Rasch, Kevin ^{[1
]}

Mitas, Lubos ^{[1
]}

机构：

[1] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA

来源：

ADVANCES IN QUANTUM MONTE CARLO | 2012年 / 1094卷

基金：

美国国家科学基金会;

关键词：

QUANTUM MONTE-CARLO; ELECTRONIC-STRUCTURE; CHEMISTRY;

D O I：

暂无

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：

We outline the basic notions of nodal hypersurface and domain averages for antisymmetric wave functions. We illustrate their properties, analyze the results for few-electron explicitly solvable cases, and discuss possible further developments.

引用

页码：77 / 87

页数：11

共 23 条

[1]

Anderson J. B., 1995, UNDERSTANDING CHEM R, P1

[2] QUANTUM CHEMISTRY BY RANDOM-WALK - H2P,H+3D3H1A'1,H-23-SIGMA+U,H-41-SIGMA+G,BE1S [J].

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) :4121-4127

[3]

[Anonymous], 2008, PHYS REV B, V77

[4] Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations [J].

Bajdich, M ;

Mitas, L ;

Drobny, G ;

Wagner, LK ;

Schmidt, KE .

PHYSICAL REVIEW LETTERS, 2006, 96 (13) :1-4

[5] Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies [J].

Bajdich, M ;

Mitas, L ;

Drobny, G ;

Wagner, LK .

PHYSICAL REVIEW B, 2005, 72 (07)

[6] ELECTRONIC STRUCTURE QUANTUM MONTE CARLO [J].

Bajdich, Michal ;

Mitas, Lubos .

ACTA PHYSICA SLOVACA, 2009, 59 (02) :81-168

[7]

Bressanini D., 2002, RECENT ADV QUANTUM 2, P1

[8] QUANTUM MONTE-CARLO [J].

CEPERLEY, D ;

ALDER, B .

SCIENCE, 1986, 231 (4738) :555-560

[9]

Ceperley D. M., 1979, Monte Carlo methods in statistical physics, P145

[10]

Ceperley DM, 1996, ADV CHEM PHYS, V93, P1, DOI 10.1002/9780470141526.ch1

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