A spline approach to trial wave functions for variational and diffusion Monte Carlo

1999 ◽  
Vol 111 (14) ◽  
pp. 6230-6237 ◽  
Author(s):  
Dario Bressanini ◽  
Giordano Fabbri ◽  
Massimo Mella ◽  
Gabriele Morosi
Keyword(s):  
Monte Carlo ◽  
Wave Functions ◽  
Diffusion Monte Carlo ◽  
And Diffusion

Ab initio and diffusion Monte Carlo study of uracil–water, thymine–water, cytosine–water, and cytosine–(water)2

2000 ◽  
Vol 2 (6) ◽  
pp. 1281-1290 ◽  
Author(s):  
Tanja van Mourik ◽  
David M. Benoit ◽  
Sarah L. Price ◽  
David C. Clary
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Monte Carlo Study ◽  
Diffusion Monte Carlo ◽  
And Diffusion

Evaluation of Matrix Elements Using Diffusion Monte Carlo Wave Functions

2019 ◽  
Vol 123 (20) ◽  
pp. 4370-4378 ◽  
Author(s):  
Victor G. M. Lee ◽  
Lindsey R. Madison ◽  
Anne B. McCoy
Keyword(s):  
Monte Carlo ◽  
Wave Functions ◽  
Matrix Elements ◽  
Diffusion Monte Carlo

scholarly journals Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo

2019 ◽  
Vol 1 ◽  
pp. 100002 ◽  
Author(s):  
Anthony Scemama ◽  
Michel Caffarel ◽  
Anouar Benali ◽  
Denis Jacquemin ◽  
Pierre-François Loos
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Diffusion Monte Carlo ◽  
Excitation Energies ◽  
And Diffusion

DIFFUSION MONTE CARLO STUDY OF GROUND STATE PROPERTIES OF QUANTUM DOTS

2001 ◽  
Vol 15 (10n11) ◽  
pp. 1443-1446 ◽  
Author(s):  
FRANCESCO PEDERIVA
Keyword(s):  
Quantum Dots ◽  
Monte Carlo ◽  
Ground State ◽  
Monte Carlo Study ◽  
Wave Functions ◽  
Local Spin Density Approximation ◽  
Density Approximation ◽  
Diffusion Monte Carlo ◽  
Hartree Fock ◽  
Parabolic Quantum Dot

We present the results of Diffusion Monte Carlo (DMC) calculations based on accurate multiconfiguration wave functions for N electrons (N≤13) confined to a parabolic quantum dot. The density and correlation energies have been computed and compared with the predictions of local spin density approximation theory (LSDA). We also computed the addition energy a function of the number of electrons in the dot, and compared them with the results of LSDA and Hartree Fock calculations. DMC results show a behavior qualitatively closer to the result of recent capacitance experiments.

Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach

2007 ◽  
Vol 76 (3) ◽  
pp. C104-C110 ◽  
Author(s):  
E Bodo ◽  
E Coccia ◽  
D López-Durán ◽  
F A Gianturco
Keyword(s):  
Monte Carlo ◽  
Diffusion Monte Carlo ◽  
Monte Carlo Approach ◽  
And Diffusion

Characterization of Ar[sub n]O[sup −] clusters from ab initio and diffusion Monte Carlo calculations

2003 ◽  
Vol 118 (6) ◽  
pp. 2748 ◽  
Author(s):  
Jacek Jakowski ◽  
Grzegorz Chałasiński ◽  
Joseph Gallegos ◽  
Mark W. Severson ◽  
M. M. Szczȩśniak
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Diffusion Monte Carlo ◽  
Monte Carlo Calculations ◽  
And Diffusion
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