A simplified approach to the Quantum Monte Carlo method: from the solution of integrals to the electronic distribution problem

Química Nova

Torres, Guilherme Barreto¹  Custodio, Rogério¹  Fonseca, André Luiz da¹  Universidade Estadual de Campinas, Campinas, Brasil¹  Angelotti, Wagner Fernando Delfino¹ 

关键词: stochastic methods;    Quantum Monte Carlo;    electronic structure.;   

DOI  :  10.1590/S0100-40422008000200044

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

The paper presents an introductory and general discussion on the quantum Monte Carlo methods, some fundamental algorithms, concepts and applicability. In order to introduce the quantum Monte Carlo method, preliminary concepts associated with Monte Carlo techniques are discussed.

【 授权许可】

Unknown