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Updated: Jul 17, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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在复杂的吸收潜力的运动方程合集群方法中对非adiabatic合的分析评估

Koushik Chatterjee1, Zsuzsanna Koczor-Benda2, Xintian Feng3

  • 1Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium.

Journal of chemical theory and computation
|August 30, 2023
PubMed
概括

我们开发了一个关于涉及共振状态的非adiabatic合 (NACs) 的理论,使用复杂的吸收潜力运动方程合集群 (CAP-EOM-CC). 在绑定和共振状态之间评估NAC是直接的,与涉及两个共振的不同.

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Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

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¹H NMR: Long-Range Coupling

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