柔软
发表于 2025-3-23 11:42:15
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反感
发表于 2025-3-23 14:28:02
Implikationen und Schlussfolgerung,lso recognized early that ground state Hartree-Fock . orbital energies (according to Koopmans’ theorem) can with some success be used as measures of valence electron binding energies, while core ionization energies are rather poorly represented in this manner.
fatty-acids
发表于 2025-3-23 20:22:35
https://doi.org/10.1007/978-3-322-80977-3 In essence all the CI method involves is the formation of a matrix representation of the non-relativistic electronic Hamiltonian (within the framework of the Born-Oppenheimer Approximation ), followed by solution of the associated secular equation (diagonalization).
GRILL
发表于 2025-3-24 01:52:35
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N斯巴达人
发表于 2025-3-24 05:45:03
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邪恶的你
发表于 2025-3-24 10:24:57
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Hallowed
发表于 2025-3-24 14:15:05
Accuracy, Timing and General Applicability of the MRD-CI Method, In essence all the CI method involves is the formation of a matrix representation of the non-relativistic electronic Hamiltonian (within the framework of the Born-Oppenheimer Approximation ), followed by solution of the associated secular equation (diagonalization).
敌意
发表于 2025-3-24 15:25:15
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蚀刻术
发表于 2025-3-24 20:26:48
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正式通知
发表于 2025-3-25 01:28:09
The Role of the Excited State in Organic Photochemistry,a good chance to make fundamental contributions to the understanding and prediction of the events occurring between initial excitation of an organic molecule to an electronically excited state (S, singlet; T, triplet) and the emergence of the first product in its thermalized ground state (S.).