"PySCF-NAO: An efficient and flexible implementation of linear response ..."

Peter Koval, Marc Barbry, Daniel Sánchez-Portal (2019)

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DOI: 10.1016/J.CPC.2018.08.004

access: closed

type: Journal Article

metadata version: 2025-03-03

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Peter Koval, Marc Barbry, Daniel Sánchez-Portal:
PySCF-NAO: An efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals. Comput. Phys. Commun. 236: 188-204 (2019)

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