Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule-Reference-Cited by-同舟云学术

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Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

Published:2013-09-24 Issue:10 Volume:9 Page:4332-4350
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zen Andrea¹,Luo Ye²,Sorella Sandro²,Guidoni Leonardo³

Affiliation:

1. Dipartimento di Fisica, La Sapienza—Università di Roma, Piazzale Aldo Moro 2, 00185 Rome, Italy

2. Scuola Internazionale Superiore di Studi Avanzati (SISSA), via Bonomea 265, 34136 Trieste, Italy

3. Dipartimento di Scienze Fisiche e Chimiche, Università degli studi de L’Aquila, Via Vetoio, 67100 Coppito, L’Aquila, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400382m

Reference101 articles.

1. Quantum Monte Carlo and Related Approaches

2. The fermion Monte Carlo revisited

3. Quantum Monte Carlo simulations of solids

4. Fixed‐node quantum Monte Carlo for moleculesa) b)

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