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1
Correlation effects on aromaticity of 'Be POT.2- IND.3' cluster a quantum Monte Carlo study
Correlation effects on aromaticity of 'Be POT.2- IND.3' cluster a quantum Monte Carlo study
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Correlation effects on aromaticity of 'Be POT.2- IND.3' cluster a quantum Monte Carlo study

B. G. A. Brito Guo-Qiang Hai; Ladir Cândido

Chemical Physics Letters Amsterdam : Elsevier BV v. 586, p. 108-110, Oct. 2013

Amsterdam 2013

Localização: IFSC - Inst. Física de São Carlos    (PROD021485 )(Acessar)

2
A quantum Monte Carlo study of the structural and electronic properties of small cationic and neutral lithium clusters
A quantum Monte Carlo study of the structural and electronic properties of small cationic and neutral lithium clusters
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A quantum Monte Carlo study of the structural and electronic properties of small cationic and neutral lithium clusters

B. G. A. Brito Guo-Qiang Hai; Ladir Cândido

Journal of Chemical Physics College Park : American Institute of Physics - AIP v. 146, n. 17, p. 174306-1-174306-8, May 2017

College Park 2017

Localização: IFSC - Inst. Física de São Carlos    (PROD026061 )(Acessar)

3
Analysis of the ionization potentials of small superalkali lithium clusters based on quantum Monte Carlo simulations
Analysis of the ionization potentials of small superalkali lithium clusters based on quantum Monte Carlo simulations
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Analysis of the ionization potentials of small superalkali lithium clusters based on quantum Monte Carlo simulations

B. G. A. Brito Guo-Qiang Hai; Ladir Cândido

Chemical Physics Letters Amsterdam : Elsevier BV v. 708, p. 54-60, Sept. 2018

Amsterdam 2018

Localização: IFSC - Inst. Física de São Carlos    (PROD027620 )(Acessar)

4
Quantum Monte Carlo study on the structures and energetics of cyclic and linear carbon clusters Cn (n = 1,...,10)
Quantum Monte Carlo study on the structures and energetics of cyclic and linear carbon clusters Cn (n = 1,...,10)
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Quantum Monte Carlo study on the structures and energetics of cyclic and linear carbon clusters Cn (n = 1,...,10)

B. G. A. Brito Guo-Qiang Hai; Ladir Cândido

Physical Review A College Park: American Physical Society - APS v. 98, n. 6, p. 062508-1-062508-8, Dec. 2018

College Park 2018

Localização: IFSC - Inst. Física de São Carlos    (PROD028372 )(Acessar)

5
Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters
Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters
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Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters

B. G. A. Brito Guo-Qiang Hai; L Cândido

Journal of Chemical Physics Melville : American Institute of Physics - AIP v. 151, n. 1, p. 014303-1-014303-8, July 2019

Melville 2019

Localização: IFSC - Inst. Física de São Carlos    (PROD028926 )(Acessar)

6
Quantum effects on elastic constants of diamond by path-integral Monte Carlo simulations
Quantum effects on elastic constants of diamond by path-integral Monte Carlo simulations
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Quantum effects on elastic constants of diamond by path-integral Monte Carlo simulations

B. G. A. Brito Guo-Qiang Hai; Ladir Cândido

Computational Materials Science Amsterdam : Elsevier BV v. 173, p. 109387-109387-6, Fev. 2020

Amsterdam 2020

Localização: IFSC - Inst. Física de São Carlos    (PROD029885 )(Acessar)

7
Fixed-node diffusion MonteCarlo simulation of small ionized carbon clusters
Fixed-node diffusion MonteCarlo simulation of small ionized carbon clusters
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Fixed-node diffusion MonteCarlo simulation of small ionized carbon clusters

B. G. A. Brito Guo-Qiang Hai; Ladir Cândido

Chemical Physics Letters Amsterdam v. 804, p. 139888-1-139888-7, Oct. 2022

Amsterdam 2022

Localização: IFSC - Inst. Física de São Carlos    (PROD033287 )(Acessar)

8
Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation
Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation
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Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation

B. G. A. Brito Guo-Qiang Hai; L Cândido

Computational Condensed Matter Amsterdam v. 33, p. e00759-1-e00759-7, Dec. 2022

Amsterdam 2022

Localização: IFSC - Inst. Física de São Carlos    (PROD033616 )(Acessar)

9
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 (M = Li, Na, K, Rb, Cu, Ag and Au)
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 (M = Li, Na, K, Rb, Cu, Ag and Au)
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A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 (M = Li, Na, K, Rb, Cu, Ag and Au)

Bráulio Gabriel A. Brito Guo-Qiang Hai; J. N. Teixeira Rabelo; Ladir Cândido

Physical Chemistry Chemical Physics Cambridge : Royal Society of Chemistry - RSC v. 16, n. 18, p. 8639-8645, Apr. 2014

Cambridge 2014

Localização: IFSC - Inst. Física de São Carlos    (PROD022135 )(Acessar)

10
Binding energies of small lithium clusters a comparison of different theoretical calculations
Binding energies of small lithium clusters a comparison of different theoretical calculations
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Binding energies of small lithium clusters a comparison of different theoretical calculations

B. G. A. Brito Ladir Cândido; J. N. Teixeira Rabelo; Guo-Qiang Hai

Chemical Physics Letters Amsterdam : Elsevier BV v. 616-617, p. 212-216, Nov. 2014

Amsterdam 2014

Localização: IFSC - Inst. Física de São Carlos    (PROD023062 )(Acessar)

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Deste Autor:

  1. Hai, G
  2. Brito, B
  3. Cândido, L
  4. Rabelo, J
  5. Moreira, E

Neste Assunto:

  1. Método De Monte Carlo
  2. Termodinâmica
  3. Hidrogênio
  4. Materiais
  5. Dielétricos

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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