Search Results - "Hai, G-Q" :: K.UTB vyhledávací portál

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

by Brito, B.G.A., Hai, G.-Q., Cândido, L.
Published in Computational materials science (15.02.2020)

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Binding energies of small lithium clusters: A comparison of different theoretical calculations

by Brito, B.G.A., Cândido, Ladir, Rabelo, J.N. Teixeira, Hai, G.-Q.
Published in Chemical physics letters (25.11.2014)

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

by Brito, B.G.A., Hai, G.-Q., Cândido, Ladir
Published in Chemical physics letters (16.09.2018)

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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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Anharmonic effects on thermodynamic properties of a graphene monolayer

by da Silva, A. L. C., Cândido, Ladir, Teixeira Rabelo, J. N., Hai, G.-Q., Peeters, F. M.
Published in Europhysics letters (01.09.2014)

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

by Brito, Bráulio Gabriel A, Hai, G.-Q, Teixeira Rabelo, J. N, Cândido, Ladir
Published in Physical chemistry chemical physics : PCCP (14.05.2014)

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Thermodynamic properties of solid molecular hydrogen by path integral Monte Carlo simulations

by Brito, B.G.A., Cândido, Ladir, Teixeira Rabelo, J.N., Hai, G.-Q.
Published in Chemical physics letters (01.01.2018)

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Electronic structure of metal-doped aluminum clusters by quantum Monte Carlo method

by Cândido, L., Brito, B. G. A., Teixeira Rabelo, J. N., Hai, G.-Q.
Published in Journal of physics. Conference series (01.02.2020)

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Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride

by Brito, B.G.A., Cândido, L., Teixeira Rabelo, J.N., Hai, G.-Q.
Published in Computational Condensed Matter (01.06.2022)

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