Works (8)
Updated: July 5th, 2023 16:00
2009 journal article
QWalk: A quantum Monte Carlo program for electronic structure
JOURNAL OF COMPUTATIONAL PHYSICS, 228(9), 3390–3404.
author keywords: Monte Carlo; Stochastic methods; Quantum mechanics
TL;DR:
QWalk, a new computational package capable of performing quantum Monte Carlo electronic structure calculations for molecules and solids with many electrons, is described.
(via Semantic Scholar)
arxiv.org (repository)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2008 journal article
Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods
PHYSICAL REVIEW B, 77(11).
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2007 journal article
Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo
JOURNAL OF CHEMICAL PHYSICS, 126(3).
MeSH headings : Bayes Theorem; Biophysics / methods; Chemistry, Physical / methods; Metals / chemistry; Models, Chemical; Models, Statistical; Monte Carlo Method; Oxygen / chemistry; Quantum Theory; Reproducibility of Results; Software; Thermodynamics; Transition Elements / chemistry
TL;DR:
Highly accurate first principles calculations of the properties of TM monoxide molecules within fixed-node diffusion Monte Carlo and reptation Monte Carlo are reported on.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2007 review
Transition metal oxides using quantum Monte Carlo
[Review of ]. Journal of Physics. Condensed Matter, 19(34).
Source: NC State University Libraries
Added: August 6, 2018
2006 journal article
Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations
PHYSICAL REVIEW LETTERS, 96(13).
TL;DR:
This work investigates the accuracy of trial wave functions for quantum Monte Carlo based on Pfaffian functional form with singlet and triplet pairing and finds that Pfaffians lead to substantial improvements in fermions when compared to Hartree-Fock wave functions.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2005 journal article
Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies
PHYSICAL REVIEW B, 72(7).
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
16. Peace, Justice and Strong Institutions
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2003 journal article
A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules
CHEMICAL PHYSICS LETTERS, 370(3-4), 412–417.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2002 journal article
Effects of surface termination on the band gap of ultrabright Si-29 nanoparticles: Experiments and computational models
PHYSICAL REVIEW B, 65(19).
Source: Web Of Science
Added: August 6, 2018
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