Works (5)

Updated: July 5th, 2023 15:57

2009 review

ELECTRONIC STRUCTURE QUANTUM MONTE CARLO

[Review of ]. ACTA PHYSICA SLOVACA, 59(2), 81–168.

By: M. Bajdich* & L. Mitas*

author keywords: Condensed Matter; Computational Methods; Electronic Structure; Quantum Monte Carlo; Correlated Electrons; Fermion Nodes; Pfaffians
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2009 journal article

QWalk: A quantum Monte Carlo program for electronic structure

JOURNAL OF COMPUTATIONAL PHYSICS, 228(9), 3390–3404.

By: L. Wagner n, M. Bajdich n & L. Mitas n

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)
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).

By: M. Bajdich n, L. Mitas n, L. Wagner n & K. Schmidt*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations

PHYSICAL REVIEW LETTERS, 96(13).

By: M. Bajdich n, L. Mitas n, G. Drobny n, L. Wagner n & K. Schmidt*

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
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).

By: M. Bajdich n, L. Mitas n, G. Drobny n & L. Wagner n

UN Sustainable Development Goal Categories
16. Peace, Justice and Strong Institutions (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

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