Gator: A Python-driven program for spectroscopy simulations using correlated wave functions
The Gator program has been developed for computational spectroscopy and calculations of molecular properties using real and complex propagators at the correlated level of wave function theory. Currently, the focus lies on methods based on the algebraic diagrammatic construction (ADC) scheme up to th...
Main Authors: | Brand, M. (Author), Brumboiu, I.E (Author), Dempwolff, A.L (Author), Dreuw, A. (Author), Fransson, T. (Author), Herbst, M.F (Author), Li, X. (Author), Norman, P. (Author), Rehn, D.R (Author), Rinkevicius, Z. (Author), Scheurer, M. (Author) |
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Format: | Article |
Language: | English |
Published: |
John Wiley and Sons Inc
2021
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Subjects: | |
Online Access: | View Fulltext in Publisher |
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