Low-Scaling Quantum Chemistry Approach to Excited-State Properties via an ab Initio Exciton Model: Application to Excitation Energy Transfer in a Self-Assembled Nanotube.
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Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model.Simulating the absorption spectra of helium clusters (N = 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitations.Analytic derivative couplings and first-principles exciton/phonon coupling constants for an ab initio Frenkel-Davydov exciton model: Theory, implementation, and application to compute triplet exciton mobility parameters for crystalline tetracene.Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes.
P2860
Low-Scaling Quantum Chemistry Approach to Excited-State Properties via an ab Initio Exciton Model: Application to Excitation Energy Transfer in a Self-Assembled Nanotube.
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2015 nî lūn-bûn
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name
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@en
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@nl
type
label
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@en
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@nl
prefLabel
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@en
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@nl
P1476
Low-Scaling Quantum Chemistry ...... in a Self-Assembled Nanotube.
@en
P2093
Adrian F Morrison
P304
P356
10.1021/ACS.JPCLETT.5B02109
P577
2015-10-23T00:00:00Z