scholarly journals All-Electron Quantum Monte Carlo with Jastrow Single Determinant Ansatz: Application to the Sodium Dimer

2019 ◽  
Vol 15 (7) ◽  
pp. 4044-4055 ◽  
Author(s):  
Kousuke Nakano ◽  
Ryo Maezono ◽  
Sandro Sorella
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Sodium Dimer ◽  
Electron Quantum

Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom

2005 ◽  
Vol 123 (9) ◽  
pp. 094102 ◽  
Author(s):  
Michel Caffarel ◽  
Jean-Pierre Daudey ◽  
Jean-Louis Heully ◽  
Alejandro Ramírez-Solís
Keyword(s):  
Monte Carlo ◽  
Transition Metal ◽  
Copper Atom ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculations ◽  
Electron Quantum

Energetics of carbon clusters C20 from all-electron quantum Monte Carlo calculations

2000 ◽  
Vol 323 (3-4) ◽  
pp. 229-233 ◽  
Author(s):  
Svetlana Sokolova ◽  
Arne Lüchow ◽  
James B. Anderson
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Carbon Clusters ◽  
Monte Carlo Calculations ◽  
Electron Quantum

scholarly journals Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations

2010 ◽  
Vol 104 (18) ◽  
Author(s):  
K. P. Esler ◽  
R. E. Cohen ◽  
B. Militzer ◽  
Jeongnim Kim ◽  
R. J. Needs ◽  
...  
Keyword(s):  
High Pressure ◽  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculations ◽  
Pressure Calibration ◽  
Electron Quantum

Electron correlation effects in boron clusters BnQ (for Q=-1,0, 1 and n ≤13) based on quantum Monte Carlo simulations

2022 ◽  
Author(s):  
Emanuel M. Isaac Moreira ◽  
Bráulio Gabriel Alencar Brito ◽  
Guo -Q Hai ◽  
Ladir Cândido
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Electron Correlation ◽  
Quantum Monte Carlo ◽  
Correlation Effects ◽  
Boron Clusters ◽  
Electron Correlation Effects ◽  
Electron Quantum ◽  
Total Energies ◽  
Quantum Monte Carlo Simulations

We present all-electron quantum Monte Carlo simulations on the anionic, neutral, and cationic boron clusters BnQ with up to 13 atoms (Q=-1,0,+1 and n≤ 13). Accurate total energies of these...

Energetics of carbon clusters C8 and C10 from all-electron quantum Monte Carlo calculations

1999 ◽  
Vol 110 (22) ◽  
pp. 10725-10729 ◽  
Author(s):  
Yuri Shlyakhter ◽  
Svetlana Sokolova ◽  
Arne Lüchow ◽  
James B. Anderson
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Carbon Clusters ◽  
Monte Carlo Calculations ◽  
Electron Quantum
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