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Theoretical and Computational Chemistry

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excitation

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2 results in Keywords: excitation

Theoretical and Computational Chemistry

A DFT/MRCI Hamiltonian Parameterized Using Only Ab Initio Data: I. Valence Excited States

Teagan Costain, Victoria Ogden, Simon Neville, Michael Schuurman

Version 1 posted 29 March 2024

294

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Theoretical and Computational Chemistry

Exploiting locality in FCIQMC for fast excitation generation

Oskar Weser, Ali Alavi, Giovanni Li Manni

Version 2 posted 06 September 2023

277

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