Works (4)
Updated: July 5th, 2023 15:43
2019 journal article
A quantum Monte Carlo study of the molybdenum dimer (Mo-2)
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1170.
author keywords: Quantum Monte Carlo; The fixed-node approximation; Molybdenum; Mo-2; Coupled-cluster; Complete basis set limit
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: December 30, 2019
2016 journal article
A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems
CHEMICAL PHYSICS LETTERS, 667, 74–78.
author keywords: Quantum Monte Carlo; Fixed-node approximation; Molybdenum; Tungsten; Bis(benzene) molybdenum; Mono(benzene) molybdenum
open access via arxiv.org (repository)
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
2014 journal article
A quantum Monte Carlo study of zinc-porphyrin: Vertical excitation between the singlet ground state and the lowest-lying singlet excited state
Computational and Theoretical Chemistry, 1046, 6–9.
author keywords: Quantum Monte Carlo; Fixed-node approximation; Zinc porphyrin; Excited states
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, Crossref
Added: August 6, 2018
2013 journal article
Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations
CHEMICAL PHYSICS LETTERS, 591, 170–174.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
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