Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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2017年學術文章

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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Quantum Monte Carlo with density matrix: potential energy curve derived properties.

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P1476

Quantum Monte Carlo with density matrix: potential energy curve derived properties.

@en

P2093

João B L Martins

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Nádia M Borges

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Ricardo Gargano

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Víctor S Bonfim

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P2860

Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculations.

Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene.

Recent developments in quantum Monte Carlo simulations with applications for cold gases.

Vibrational and electronic structure analysis of a carbon dioxide interaction with functionalized single-walled carbon nanotubes.

Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo.

Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.

Quantum Monte Carlo calculations of the dimerization energy of borane.

Energy and density analysis of the H2 molecule from the united atom to dissociation: the 3Sigma(g)+ and 3Sigma(u)+ states.

Practical Schemes for Accurate Forces in Quantum Monte Carlo.

Accurate adiabatic correction in the hydrogen molecule.

P2888

s00894-017-3272-5

P304

104

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P31

scholarly article

P356

10.1007/S00894-017-3272-5

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

José Roberto Dos S Politi

P577

2017-03-07T00:00:00Z

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P698

28271286

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