scholarly journals Interpolated Wave Functions for Nonadiabatic Simulations with the Fixed-Node Quantum Monte Carlo Method

2016 ◽  
pp. 47-61 ◽  
Author(s):  
Norm M. Tubman ◽  
Yubo Yang ◽  
Sharon Hammes-Schiffer ◽  
David M. Ceperley
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Quantum Monte Carlo ◽  
Wave Functions ◽  
Quantum Monte Carlo Method ◽  
Fixed Node

THE DIFFUSION QUANTUM MONTE CARLO METHOD: DESIGNING TRIAL WAVE FUNCTIONS FOR NiO

2003 ◽  
Vol 17 (28) ◽  
pp. 5425-5434 ◽  
Author(s):  
R. J. NEEDS ◽  
M. D. TOWLER
Keyword(s):  
Monte Carlo ◽  
Wave Function ◽  
Monte Carlo Method ◽  
Transition Metal ◽  
Quantum Monte Carlo ◽  
Monte Carlo Study ◽  
Trial Wave Function ◽  
Wave Functions ◽  
Quantum Monte Carlo Method

A brief overview of the diffusion quantum Monte Carlo method is given. The importance of the trial wave function is emphasised and we discuss how to design satisfactory forms for transition metal monoxides. Some results of a diffusion quantum Monte Carlo study of NiO are reported.

scholarly journals Fixed-Node Quantum Monte Carlo Method for Lattice Fermions

1994 ◽  
Vol 72 (15) ◽  
pp. 2442-2445 ◽  
Author(s):  
H. J. M. van Bemmel ◽  
D. F. B. ten Haaf ◽  
W. van Saarloos ◽  
J. M. J. van Leeuwen ◽  
G. An
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Quantum Monte Carlo ◽  
Quantum Monte Carlo Method ◽  
Lattice Fermions ◽  
Fixed Node
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