Research Data for "Toward an Understanding of Electronic Excitation Energies Beyond the Molecular Orbital Picture"
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资源简介：
Contenturacil/ADC2 - Q-Chem input/output files for ADC(2) computations on uraciluracil/PBE0 - Q-Chem input/output files for TDDFT/PBE0 computations on uracil uracil/CASSCF - OpenMolcas input/output files for CASSCF(10/7) computations on uracil acenes - Q-Chem input/output files for ADC(2) computations on naphthalene, anthracene, tetracene and pentacene octatetraene - Q-Chem input/output files for CIS computations on octatetraene
创建时间：
2023-06-28
