OpenMolcas: From Source Code to Insight
CollaboratorsAquilante, Francesco; Wesolowski, Tomasz Adam; Zech, Alexander
Published inJournal of chemical theory and computation, vol. 15, no. 11, p. 5925-5964
Publication date2019-09-11
First online date2019-09-11
Abstract
Keywords
- Chemical calculations
- Electron correlation
- Interfaces
- Mathematical methods
- Wave function
Affiliation entities
Funding
- European Commission - Rational Design of Photoreceptor Mutants with Desired Photochemical Properties [678169]
- European Commission - Nitroaromatics photophysics and photochemistry: a quantum dynamics study [658173]
Citation (ISO format)
OpenMolcas: From Source Code to Insight. In: Journal of chemical theory and computation, 2019, vol. 15, n° 11, p. 5925–5964. doi: 10.1021/acs.jctc.9b00532
Main files (1)
Article (Published version)
Identifiers
- PID : unige:180192
- DOI : 10.1021/acs.jctc.9b00532
- PMID : 31509407
Additional URL for this publicationhttps://pubs.acs.org/doi/10.1021/acs.jctc.9b00532
Journal ISSN1549-9618
