Ground and excited states of the complex of CO with water: A diffusion Monte Carlo study

1996 ◽  
Vol 105 (23) ◽  
pp. 10387-10397 ◽  
Author(s):  
P. Sandler ◽  
V. Buch ◽  
J. Sadlej
Keyword(s):  
Monte Carlo ◽  
Excited States ◽  
Monte Carlo Study ◽  
Diffusion Monte Carlo

scholarly journals THERMODYNAMIC PROPERTIES OF A TRAPPED BOSE GAS: A DIFFUSION MONTE CARLO STUDY

2008 ◽  
Vol 22 (24) ◽  
pp. 4261-4273 ◽  
Author(s):  
S. DATTA
Keyword(s):  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Temperature Variation ◽  
Quantum Monte Carlo ◽  
Chemical Potential ◽  
Monte Carlo Study ◽  
Bose Gas ◽  
Diffusion Monte Carlo ◽  
Frequency Shifts ◽  
Realistic Potential

We investigate the thermodynamic properties of a trapped Bose gas of Rb atoms interacting through a repulsive potential at low but finite temperature (kBT < μ < Tc) by Quantum Monte Carlo method based upon the generalization of Feynman-Kac method1-3 applicable to many-body systems at T=0 to finite temperatures. In this paper, we report temperature variation of condensation fraction, chemical potential, density profile, total energy of the system, release energy, frequency shifts and moment of inertia within the realistic potential model (Morse type) for the first time by diffusion Monte Carlo technique. The most remarkable success was in achieving the same trend in the temperature variation of frequency shifts as was observed in JILA4 for both m=2 and m=0 modes. For other things, we agree with the work of Giorgini et al.,5 Pitaevskii et al.6 and Krauth.7

scholarly journals Diffusion Monte Carlo study of O2 adsorption on single layer graphene

2019 ◽  
Vol 100 (7) ◽  
Author(s):  
Hyeondeok Shin ◽  
Ye Luo ◽  
Anouar Benali ◽  
Yongkyung Kwon
Keyword(s):  
Monte Carlo ◽  
Single Layer ◽  
Monte Carlo Study ◽  
Single Layer Graphene ◽  
Diffusion Monte Carlo ◽  
Layer Graphene ◽  
O2 Adsorption

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

scholarly journals Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited

2015 ◽  
Vol 11 (3) ◽  
pp. 907-917 ◽  
Author(s):  
Kenta Hongo ◽  
Mark A. Watson ◽  
Toshiaki Iitaka ◽  
Alán Aspuru-Guzik ◽  
Ryo Maezono
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Diffusion Monte Carlo

scholarly journals Diffusion Monte Carlo study of circular quantum dots

2000 ◽  
Vol 62 (12) ◽  
pp. 8120-8125 ◽  
Author(s):  
Francesco Pederiva ◽  
C. J. Umrigar ◽  
E. Lipparini
Keyword(s):  
Quantum Dots ◽  
Monte Carlo ◽  
Monte Carlo Study ◽  
Diffusion Monte Carlo
Sign in / Sign up

Export Citation Format

Share Document