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

The Journal of chemical physics, 2023-06, Vol.158 (22)

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

The Journal of chemical physics, 2019-07, Vol.151 (1), p.014303-014303

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

Chemical physics letters, 2023-11, Vol.831, p.140856, Article 140856

2023

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

Surface science, 2024-09, Vol.747, p.122507, Article 122507

2024

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

The Journal of chemical physics, 2017-05, Vol.146 (17), p.174306-174306

2017

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

Chemical physics letters, 2022-10, Vol.804, p.139888, Article 139888

2022

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

The Journal of chemical physics, 2018-12, Vol.149 (21), p.214303-214303

2018

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Isotopic effect on thermal physical properties of cubic SiC

Computational materials science, 2023-06, Vol.226, p.112244, Article 112244

2023

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

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (16), p.9832-9842

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

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (5), p.3119-3128

2022

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

Journal of molecular modeling, 2021-07, Vol.27 (7), p.207-207, Article 207

2021

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

Chemical physics letters, 2014-11, Vol.616-617, p.212-216

2014

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

Computational materials science, 2020-02, Vol.173, p.109387, Article 109387

2020

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

Chemical physics letters, 2018-09, Vol.708, p.54-60

2018

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Electronic Structure of Nanoclusters by Quantum Monte Carlo Methods

Journal of cluster science, 2021-07, Vol.32 (4), p.813-820

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)

Physical chemistry chemical physics : PCCP, 2014-05, Vol.16 (18), p.8639-8645

2014

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Spin- and valley-dependent commensurability oscillations and electric-field-induced quantum Hall plateaux in periodically modulated silicene

Applied physics letters, 2014-05, Vol.104 (21)

2014

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

Chemical physics letters, 2018-01, Vol.691, p.330-335

2018

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Anharmonic effects on thermodynamic properties of a graphene monolayer

Europhysics letters, 2014-09, Vol.107 (5), p.56004-p1-56004-p6

2014

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

Journal of physics. Conference series, 2020, Vol.1483 (1), p.12005

2020

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

Computational Condensed Matter, 2022-06, Vol.31, p.e00660, Article e00660

2022

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Topology Driven g -Factor Tuning in Type-II Quantum Dots

Physical review applied, 2019-04, Vol.11 (4), Article 044011

2019

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Mechanism of point-defect diffusion in a two-dimensional colloidal crystal

Applied physics letters, 2011-07, Vol.99 (3), p.031904-031904-3

2011

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Dc and ac transport in silicene

Journal of physics. Condensed matter, 2014-08, Vol.26 (34), p.345303-345303

2014

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A quantum Monte Carlo study of the structural and electronic properties of small boron clusters Bn(n=1,…,13)

Chemical physics letters, 2020-09, Vol.754, Article 137636

2020

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

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

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

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

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

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

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

Isotopic effect on thermal physical properties of cubic SiC

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

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

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

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

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

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

Electronic Structure of Nanoclusters by Quantum Monte Carlo Methods

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

Spin- and valley-dependent commensurability oscillations and electric-field-induced quantum Hall plateaux in periodically modulated silicene

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

Anharmonic effects on thermodynamic properties of a graphene monolayer

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

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

Topology Driven g -Factor Tuning in Type-II Quantum Dots

Mechanism of point-defect diffusion in a two-dimensional colloidal crystal

Dc and ac transport in silicene

A quantum Monte Carlo study of the structural and electronic properties of small boron clusters Bn(n=1,…,13)

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