ReP USP - Resultado da busca

Artigo de periodico
Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table (2024)
Hai, Guo-Qiang ; Cândido, Ladir ; Brito, Braulio Gabriel Alencar ; Liu, Yun
Source: Chemical Physics Letters. Unidade: IFSC
Subjects: FÍSICA TEÓRICA, ÁTOMOS, ELÉTRONS, SPIN
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ABNT
HAI, Guo-Qiang et al. Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table. Chemical Physics Letters, v. No 2024, p. 141567-1-141567-6, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2024.141567. Acesso em: 01 out. 2024.
APA
Hai, G. -Q., Cândido, L., Brito, B. G. A., & Liu, Y. (2024). Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table. Chemical Physics Letters, No 2024, 141567-1-141567-6. doi:10.1016/j.cplett.2024.141567
NLM
Hai G-Q, Cândido L, Brito BGA, Liu Y. Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table [Internet]. Chemical Physics Letters. 2024 ; No 2024 141567-1-141567-6.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cplett.2024.141567
Vancouver
Hai G-Q, Cândido L, Brito BGA, Liu Y. Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table [Internet]. Chemical Physics Letters. 2024 ; No 2024 141567-1-141567-6.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cplett.2024.141567
Artigo de periodico
Quantifying exchange effects in incommensurate solid 4^He (2024)
Sousa, Rhayson Almeida de ; Brito, Bráulio Gabriel ; Hai, Guo-Qiang ; Cândido, Ladir
Source: Physical Review B. Unidade: IFSC
Subjects: HÉLIO, MÉTODO DE MONTE CARLO, TERMODINÂMICA
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ABNT
SOUSA, Rhayson Almeida de et al. Quantifying exchange effects in incommensurate solid 4^He. Physical Review B, v. 109, n. 22, p. 224513-1-224513-9, 2024Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.109.224513. Acesso em: 01 out. 2024.
APA
Sousa, R. A. de, Brito, B. G., Hai, G. -Q., & Cândido, L. (2024). Quantifying exchange effects in incommensurate solid 4^He. Physical Review B, 109( 22), 224513-1-224513-9. doi:10.1103/PhysRevB.109.224513
NLM
Sousa RA de, Brito BG, Hai G-Q, Cândido L. Quantifying exchange effects in incommensurate solid 4^He [Internet]. Physical Review B. 2024 ; 109( 22): 224513-1-224513-9.[citado 2024 out. 01 ] Available from: https://doi.org/10.1103/PhysRevB.109.224513
Vancouver
Sousa RA de, Brito BG, Hai G-Q, Cândido L. Quantifying exchange effects in incommensurate solid 4^He [Internet]. Physical Review B. 2024 ; 109( 22): 224513-1-224513-9.[citado 2024 out. 01 ] Available from: https://doi.org/10.1103/PhysRevB.109.224513
Artigo de periodico
From structure to surface tension of small silicon clusters by quantum Monte Carlo simulations (2024)
Brito, Braulio Gabriel Alencar ; Hai, Guo-Qiang ; Cândido, Ladir
Source: Surface Science. Unidade: IFSC
Subjects: FÍSICA TEÓRICA, SISTEMA QUÂNTICO, SIMULAÇÃO, MÉTODO DE MONTE CARLO
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ABNT
BRITO, Braulio Gabriel Alencar e HAI, Guo-Qiang e CÂNDIDO, Ladir. From structure to surface tension of small silicon clusters by quantum Monte Carlo simulations. Surface Science, v. 747, p. 122507-1-122507-8, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.susc.2024.122507. Acesso em: 01 out. 2024.
APA
Brito, B. G. A., Hai, G. -Q., & Cândido, L. (2024). From structure to surface tension of small silicon clusters by quantum Monte Carlo simulations. Surface Science, 747, 122507-1-122507-8. doi:10.1016/j.susc.2024.122507
NLM
Brito BGA, Hai G-Q, Cândido L. From structure to surface tension of small silicon clusters by quantum Monte Carlo simulations [Internet]. Surface Science. 2024 ; 747 122507-1-122507-8.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.susc.2024.122507
Vancouver
Brito BGA, Hai G-Q, Cândido L. From structure to surface tension of small silicon clusters by quantum Monte Carlo simulations [Internet]. Surface Science. 2024 ; 747 122507-1-122507-8.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.susc.2024.122507
Artigo de periodico
Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo (2023)
Brito, Bráulio Gabriel ; Hai, Guo-Qiang ; Cândido, Ladir
Source: Journal of Chemical Physics. Unidade: IFSC
Subjects: MÉTODO DE MONTE CARLO, FÍSICA MODERNA, PROPRIEDADES DOS MATERIAIS
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ABNT
BRITO, Bráulio Gabriel e HAI, Guo-Qiang e CÂNDIDO, Ladir. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo. Journal of Chemical Physics, v. 158, n. 22, p. 224305-1-224305-7, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0156315. Acesso em: 01 out. 2024.
APA
Brito, B. G., Hai, G. -Q., & Cândido, L. (2023). Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo. Journal of Chemical Physics, 158( 22), 224305-1-224305-7. doi:10.1063/5.0156315
NLM
Brito BG, Hai G-Q, Cândido L. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo [Internet]. Journal of Chemical Physics. 2023 ; 158( 22): 224305-1-224305-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1063/5.0156315
Vancouver
Brito BG, Hai G-Q, Cândido L. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo [Internet]. Journal of Chemical Physics. 2023 ; 158( 22): 224305-1-224305-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1063/5.0156315
Artigo de periodico
Investigating the effects of oxygen doping on the structural and electronic properties of small lithium clusters using density functional theory, quantum Monte Carlo, and Hartree-Fock calculations (2023)
Brito, Braulio Gabriel Alencar ; Hai, Guo-Qiang ; Cândido, Ladir
Source: Chemical Physics Letters. Unidade: IFSC
Subjects: TERMODINÂMICA, HIDROGÊNIO, MÉTODO DE MONTE CARLO
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ABNT
BRITO, Braulio Gabriel Alencar e HAI, Guo-Qiang e CÂNDIDO, Ladir. Investigating the effects of oxygen doping on the structural and electronic properties of small lithium clusters using density functional theory, quantum Monte Carlo, and Hartree-Fock calculations. Chemical Physics Letters, v. No 2023, p. 140856-1-140856-8, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2023.140856. Acesso em: 01 out. 2024.
APA
Brito, B. G. A., Hai, G. -Q., & Cândido, L. (2023). Investigating the effects of oxygen doping on the structural and electronic properties of small lithium clusters using density functional theory, quantum Monte Carlo, and Hartree-Fock calculations. Chemical Physics Letters, No 2023, 140856-1-140856-8. doi:10.1016/j.cplett.2023.140856
NLM
Brito BGA, Hai G-Q, Cândido L. Investigating the effects of oxygen doping on the structural and electronic properties of small lithium clusters using density functional theory, quantum Monte Carlo, and Hartree-Fock calculations [Internet]. Chemical Physics Letters. 2023 ; No 2023 140856-1-140856-8.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cplett.2023.140856
Vancouver
Brito BGA, Hai G-Q, Cândido L. Investigating the effects of oxygen doping on the structural and electronic properties of small lithium clusters using density functional theory, quantum Monte Carlo, and Hartree-Fock calculations [Internet]. Chemical Physics Letters. 2023 ; No 2023 140856-1-140856-8.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cplett.2023.140856
Artigo de periodico
Isotopic effect on thermal physical properties of cubic SiC (2023)
Brito, Bráulio Gabriel ; Hai, Guo-Qiang ; Cândido, Ladir
Source: Computational Materials Science. Unidade: IFSC
Subjects: MÉTODO DE MONTE CARLO, FÍSICA MODERNA, SEMICONDUTORES
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ABNT
BRITO, Bráulio Gabriel e HAI, Guo-Qiang e CÂNDIDO, Ladir. Isotopic effect on thermal physical properties of cubic SiC. Computational Materials Science, v. 226, p. 112244-1-112244-6, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.commatsci.2023.112244. Acesso em: 01 out. 2024.
APA
Brito, B. G., Hai, G. -Q., & Cândido, L. (2023). Isotopic effect on thermal physical properties of cubic SiC. Computational Materials Science, 226, 112244-1-112244-6. doi:10.1016/j.commatsci.2023.112244
NLM
Brito BG, Hai G-Q, Cândido L. Isotopic effect on thermal physical properties of cubic SiC [Internet]. Computational Materials Science. 2023 ; 226 112244-1-112244-6.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.commatsci.2023.112244
Vancouver
Brito BG, Hai G-Q, Cândido L. Isotopic effect on thermal physical properties of cubic SiC [Internet]. Computational Materials Science. 2023 ; 226 112244-1-112244-6.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.commatsci.2023.112244
Artigo de periodico
Electron correlation effects in boron clusters BQn (for Q = 1, 0, 1 and n r 13) based on quantum Monte Carlo simulations (2022)
Moreira, E. M. Isaac; Brito, B. G. A.; Hai, Guo-Qiang ; Cândido, Ladir
Source: Physical Chemistry Chemical Physics. Unidade: IFSC
Subjects: TERMODINÂMICA, HIDROGÊNIO, MÉTODO DE MONTE CARLO
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ABNT
MOREIRA, E. M. Isaac et al. Electron correlation effects in boron clusters BQn (for Q = 1, 0, 1 and n r 13) based on quantum Monte Carlo simulations. Physical Chemistry Chemical Physics, v. 24, n. 5, p. 3119-3128, 2022Tradução . . Disponível em: https://doi.org/10.1039/d1cp04737j. Acesso em: 01 out. 2024.
APA
Moreira, E. M. I., Brito, B. G. A., Hai, G. -Q., & Cândido, L. (2022). Electron correlation effects in boron clusters BQn (for Q = 1, 0, 1 and n r 13) based on quantum Monte Carlo simulations. Physical Chemistry Chemical Physics, 24( 5), 3119-3128. doi:10.1039/d1cp04737j
NLM
Moreira EMI, Brito BGA, Hai G-Q, Cândido L. Electron correlation effects in boron clusters BQn (for Q = 1, 0, 1 and n r 13) based on quantum Monte Carlo simulations [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 5): 3119-3128.[citado 2024 out. 01 ] Available from: https://doi.org/10.1039/d1cp04737j
Vancouver
Moreira EMI, Brito BGA, Hai G-Q, Cândido L. Electron correlation effects in boron clusters BQn (for Q = 1, 0, 1 and n r 13) based on quantum Monte Carlo simulations [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 5): 3119-3128.[citado 2024 out. 01 ] Available from: https://doi.org/10.1039/d1cp04737j
Artigo de periodico
Fixed-node diffusion Monte Carlo simulation of small ionized carbon clusters (2022)
Brito, B. G. A.; Hai, Guo-Qiang ; Cândido, Ladir
Source: Chemical Physics Letters. Unidade: IFSC
Subjects: TERMODINÂMICA, HIDROGÊNIO, MÉTODO DE MONTE CARLO
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ABNT
BRITO, B. G. A. e HAI, Guo-Qiang e CÂNDIDO, Ladir. Fixed-node diffusion Monte Carlo simulation of small ionized carbon clusters. Chemical Physics Letters, v. 804, p. 139888-1-139888-7, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.cplett.2022.139888. Acesso em: 01 out. 2024.
APA
Brito, B. G. A., Hai, G. -Q., & Cândido, L. (2022). Fixed-node diffusion Monte Carlo simulation of small ionized carbon clusters. Chemical Physics Letters, 804, 139888-1-139888-7. doi:10.1016/j.cplett.2022.139888
NLM
Brito BGA, Hai G-Q, Cândido L. Fixed-node diffusion Monte Carlo simulation of small ionized carbon clusters [Internet]. Chemical Physics Letters. 2022 ; 804 139888-1-139888-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cplett.2022.139888
Vancouver
Brito BGA, Hai G-Q, Cândido L. Fixed-node diffusion Monte Carlo simulation of small ionized carbon clusters [Internet]. Chemical Physics Letters. 2022 ; 804 139888-1-139888-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cplett.2022.139888
Artigo de periodico
Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride (2022)
Brito, B. G. A.; Cândido, Ladir ; Rabelo, J. N. Teixeira; Hai, Guo-Qiang
Source: Computational Condensed Matter. Unidade: IFSC
Subjects: MÉTODO DE MONTE CARLO, TERMODINÂMICA
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ABNT
BRITO, B. G. A. et al. Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride. Computational Condensed Matter, v. 31, p. e00660-1-e00660-7, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.cocom.2022.e00660. Acesso em: 01 out. 2024.
APA
Brito, B. G. A., Cândido, L., Rabelo, J. N. T., & Hai, G. -Q. (2022). Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride. Computational Condensed Matter, 31, e00660-1-e00660-7. doi:10.1016/j.cocom.2022.e00660
NLM
Brito BGA, Cândido L, Rabelo JNT, Hai G-Q. Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride [Internet]. Computational Condensed Matter. 2022 ; 31 e00660-1-e00660-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cocom.2022.e00660
Vancouver
Brito BGA, Cândido L, Rabelo JNT, Hai G-Q. Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride [Internet]. Computational Condensed Matter. 2022 ; 31 e00660-1-e00660-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cocom.2022.e00660
Artigo de periodico
Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation (2022)
Brito, B. G. A.; Hai, Guo-Qiang ; Cândido, L.
Source: Computational Condensed Matter. Unidade: IFSC
Subjects: MÉTODO DE MONTE CARLO, TERMODINÂMICA
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ABNT
BRITO, B. G. A. e HAI, Guo-Qiang e CÂNDIDO, L. Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation. Computational Condensed Matter, v. 33, p. e00759-1-e00759-7, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.cocom.2022.e00759. Acesso em: 01 out. 2024.
APA
Brito, B. G. A., Hai, G. -Q., & Cândido, L. (2022). Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation. Computational Condensed Matter, 33, e00759-1-e00759-7. doi:10.1016/j.cocom.2022.e00759
NLM
Brito BGA, Hai G-Q, Cândido L. Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation [Internet]. Computational Condensed Matter. 2022 ; 33 e00759-1-e00759-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cocom.2022.e00759
Vancouver
Brito BGA, Hai G-Q, Cândido L. Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation [Internet]. Computational Condensed Matter. 2022 ; 33 e00759-1-e00759-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.cocom.2022.e00759
Artigo de periodico
Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations (2021)
Pina, V. G.; Brito, Bráulio Gabriel A.; Hai, Guo-Qiang ; Candido, Ladir
Source: Physical Chemistry Chemical Physics. Unidade: IFSC
Subjects: MODELOS MATEMÁTICOS, QUÍMICA QUÂNTICA
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ABNT
PINA, V. G. et al. Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations. Physical Chemistry Chemical Physics, v. 23, n. 16, p. 9832-9842, 2021Tradução . . Disponível em: https://doi.org/10.1039/d0cp06499h. Acesso em: 01 out. 2024.
APA
Pina, V. G., Brito, B. G. A., Hai, G. -Q., & Candido, L. (2021). Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations. Physical Chemistry Chemical Physics, 23( 16), 9832-9842. doi:10.1039/d0cp06499h
NLM
Pina VG, Brito BGA, Hai G-Q, Candido L. Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23( 16): 9832-9842.[citado 2024 out. 01 ] Available from: https://doi.org/10.1039/d0cp06499h
Vancouver
Pina VG, Brito BGA, Hai G-Q, Candido L. Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23( 16): 9832-9842.[citado 2024 out. 01 ] Available from: https://doi.org/10.1039/d0cp06499h
Trabalho de evento-anais periodico
Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations (2021)
Brito, B. G. A.; Verde, E. L.; Hai, Guo-Qiang ; Cândido, L.
Source: Journal of Molecular Modeling. Conference titles: Symposium on Electronic Structure and Molecular Dynamics - SeedMol. Unidade: IFSC
Subjects: LÍTIO, MÉTODO DE MONTE CARLO, MODELOS MATEMÁTICOS
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ABNT
BRITO, B. G. A. et al. Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations. Journal of Molecular Modeling. Heidelberg: Instituto de Física de São Carlos, Universidade de São Paulo. Disponível em: https://doi.org/10.1007/s00894-021-04810-4. Acesso em: 01 out. 2024. , 2021
APA
Brito, B. G. A., Verde, E. L., Hai, G. -Q., & Cândido, L. (2021). Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations. Journal of Molecular Modeling. Heidelberg: Instituto de Física de São Carlos, Universidade de São Paulo. doi:10.1007/s00894-021-04810-4
NLM
Brito BGA, Verde EL, Hai G-Q, Cândido L. Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations [Internet]. Journal of Molecular Modeling. 2021 ; 27( 7): 207-1-207-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1007/s00894-021-04810-4
Vancouver
Brito BGA, Verde EL, Hai G-Q, Cândido L. Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations [Internet]. Journal of Molecular Modeling. 2021 ; 27( 7): 207-1-207-7.[citado 2024 out. 01 ] Available from: https://doi.org/10.1007/s00894-021-04810-4

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