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Véril, M.
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QUESTDB: A database of highly accurate excitation energies for the electronic structure community
by
Boggio-Pasqua, M.
,
Caffarel, M.
,
Jacquemin, D.
,
Lipparini, F.
,
Loos, P.-F
,
Scemama, A.
,
Véril
,
M
.
Published 2021
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Related Subjects
Ab initio electronic structure methods
Calculations
Complete basis set limit
Configuration-interaction calculations
Electronic structure
Electronic structure theory
Excitation energy
Excited states
Incremental Strategy
Medium-sized molecules
Molecules
Numerical methods
Vertical excitation energy
Wave function method
Wave functions
benchmark
coupled cluster theory
database
excitation energies
excited states
full configuration interaction
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