Métodos Monte Carlo Quântico e Outer Valence Green's function aplicados na obtenção de energias de ionização de sistemas atômicos e moleculares e na construção e interpretação de diagramas de correlação

2011 ◽  
Author(s):  
Leandro de Abreu
Keyword(s):  
Monte Carlo ◽  
Green’S Function ◽  
Green's Function ◽  
Outer Valence

Green’s-function updating for Monte Carlo simulation of constrained fermions

1992 ◽  
Vol 45 (1) ◽  
pp. 471-473
Author(s):  
X. Y. Zhang ◽  
R. L. Sugar ◽  
R. T. Scalettar
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Green’S Function ◽  
Green's Function

GREEN'S FUNCTION AND SUPER-PARTICLE METHODS FOR KINETIC SIMULATION OF HETEROEPITAXY

2007 ◽  
Vol 21 (23n24) ◽  
pp. 4219-4224 ◽  
Author(s):  
CHI-HANG LAM ◽  
M. T. LUNG
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Green’S Function ◽  
Green's Function ◽  
Kinetic Monte Carlo ◽  
Three Dimensional ◽  
Particle Methods ◽  
Kinetic Simulation ◽  
Kinetic Monte Carlo Method

Arrays of nanosized three dimensional islands are known to self-assemble spontaneously on strained heteroepitaxial thin films. We simulate the dynamics using kinetic Monte Carlo method based on a ball and spring lattice model. Green's function and super-particle methods which greatly enhance the computational efficiency are explained.

scholarly journals The Use of Parameter-Free Correlation Functions in Green's Function Monte Carlo Simulations of Small Electronic Systems

1997 ◽  
Vol 52 (11) ◽  
pp. 793-802 ◽  
Author(s):  
C. Mecke ◽  
F. F. Seelig
Keyword(s):  
Monte Carlo ◽  
Green’S Function ◽  
Green's Function ◽  
Correlation Functions ◽  
High Performance ◽  
Limited Range ◽  
Electronic Energy ◽  
Simple Expression ◽  
Electronic Systems ◽  
Green's Function Monte Carlo

Abstract Using an old formulation for correlation functions with correct cusp-behaviour, the Schrödinger equation transforms to a new differential equation which provides a very simple expression for the local electronic energy with limited range. This, together with the simplicity of the formulation promises a high performance in Green's function Monte Carlo (GFMC) simulations of small electronic systems. The behaviour of the local energy is studied on a few simple examples because the variance of this function determines the quality of the results in the GFMC methods. Calculations for one-and two-electron systems are presented and compared with results from well-known functions. The form of the function is then extended to systems with more than two electrons. Results for the Be atom are given and the extension to larger electronic systems is discussed.

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