Search Results - "Brito, B. G. A." :: K.UTB vyhledávací portál

Quantum monte carlo study of the energetics of small hydrogenated and fluoride lithium clusters

by Moreira, N. L., Brito, B. G. A., Rabelo, J. N. Teixeira, Cândido, Ladir
Published in Journal of computational chemistry (30.06.2016)

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Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo

by Brito, B G A, Hai, G-Q, Cândido, L
Published in The Journal of chemical physics (14.06.2023)

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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

by Brito, B G A, Hai, G-Q, Cândido, L
Published in The Journal of chemical physics (07.07.2019)

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Quantum Monte Carlo study of the electron binding energies and aromaticity of small neutral and charged boron clusters

by Isaac Moreira, E M, Brito, B G A, Higino Damasceno, Jr, J, Teixeira Rabelo, J N, Hai, G-Q, Cândido, L
Published in The Journal of chemical physics (07.12.2018)

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Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations

by Brito, B. G. A., Verde, E. L., Hai, G.-Q., Cândido, L.
Published in Journal of molecular modeling (01.07.2021)

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

by Moreira, E M Isaac, Brito, B G A, Hai, G-Q, Cândido, L
Published in Physical chemistry chemical physics : PCCP (02.02.2022)

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Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations

by de Pina, V G, Brito, B G A, Hai, G-Q, Cândido, L
Published in Physical chemistry chemical physics : PCCP (28.04.2021)

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

by Brito, B G A, Hai, G-Q, Cândido, Ladir
Published in The Journal of chemical physics (07.05.2017)

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Electronic Structure of Nanoclusters by Quantum Monte Carlo Methods

by Cândido, L., Brito, B. G. A., Teixeira Rabelo, J. N., Hai, G.-Q.
Published in Journal of cluster science (01.07.2021)

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Efficient method to include nuclear quantum effects in the determination of phase boundaries

by Brito, B G A, Antonelli, A
Published in The Journal of chemical physics (21.07.2012)

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Electron pairing: from metastable electron pair to bipolaron

by Hai, G-Q, Cândido, L, Brito, B G A, Peeters, F M
Published in Journal of physics communications (08.03.2018)

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Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table

by Hai, G.-Q., Cândido, L., Brito, B.G.A., Liu, Y.
Published in Chemical physics letters (16.11.2024)

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Electron correlation effects in boron clusters B (for = −1, 0, 1 and ≤ 13) based on quantum Monte Carlo simulations

by Moreira, E. M. Isaac, Brito, B. G. A, Hai, G.-Q, Cândido, L
Published in Physical chemistry chemical physics : PCCP (02.02.2022)

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

by Moreira, E M Isaac, Brito, B G A, G-Q Hai, Cândido, L
Published in Physical chemistry chemical physics : PCCP (01.01.2022)

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Thermodynamic properties of cubic boron-nitride crystal by path integral Monte Carlo simulations

by Brito, B.G.A., Cândido, L.
Published in Chemical physics letters (16.07.2020)

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Quantifying electron-correlation effects in small coinage-metal clusters calculations

by de Pina, V. G, Brito, B. G. A, Hai, G.-Q, Cândido, L
Published in Physical chemistry chemical physics : PCCP (28.04.2021)

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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

by Brito, B.G.A., Hai, G.-Q., Cândido, L.
Published in Chemical physics letters (16.11.2023)

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From structure to surface tension of small silicon clusters by Quantum Monte Carlo simulations

by Brito, B.G.A., Hai, G.-Q., Cândido, L.
Published in Surface science (01.09.2024)

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Fixed-node diffusion Monte Carlo simulation of small ionized carbon clusters

by Brito, B.G.A., Hai, G.-Q., Cândido, L.
Published in Chemical physics letters (01.10.2022)

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Isotopic effect on thermal physical properties of cubic SiC

by Brito, B.G.A., Hai, G.-Q., Cândido, L.
Published in Computational materials science (25.06.2023)

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