Titlebook: Semiclassical Nonadiabatic Molecular Dynamics; Theory and Simulatio Chaoyuan Zhu Book 2024 Springer Nature Singapore Pte Ltd. 2024 Nonadiab

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書目名稱Semiclassical Nonadiabatic Molecular Dynamics影響因子(影響力)




書目名稱Semiclassical Nonadiabatic Molecular Dynamics影響因子(影響力)學(xué)科排名




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書目名稱Semiclassical Nonadiabatic Molecular Dynamics被引頻次學(xué)科排名




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書目名稱Semiclassical Nonadiabatic Molecular Dynamics年度引用學(xué)科排名




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書目名稱Semiclassical Nonadiabatic Molecular Dynamics讀者反饋學(xué)科排名

agnostic

Chaoyuan Zhua 60 Jahre alten Foucault sehen Versuche anknüpft. W?hrend die theoretische Behandlung des Kreiselproblems seit Foucault wiederholt in Angriff genommen ist und allerdings auch erst in neuerer Zeit zu einem gewissen Abschlu? gebracht wurde, datieren die erfolgreichen praktischen Arbeiten, welche eine

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Armory

Abutment

opportune

Global Nonadiabatic Switching Algorithm,o compute nonadiabatic coupling vector along?on-the-fly trajectory. A?new nonadiabatic switching?called as global switching does not need to compute nonadiabatic coupling vector?and the analytical global switching probability can be computed?only with potential energy?surfaces plus its gradient along on-the-fly trajectory.

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Book 2024 spectroscopy simulation with and without classical trajectories. It consists of eight chapters demonstrating interesting conical and intersystem-driven photochemical processes in complex systems targeting on large-scale ab initio direct nonadiabatic molecular dynamics. It also includes two chapters

Heretical

2542-4491 ccurate nonadiabatic molecular dynamics with and without cla.This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories. It consists of eight cha

不透明性

Approximate Semiclassical Mechanics,sed on time-dependent Schr?dinger equation and the quantum-propagator operator approximation based on the Feynman path integrals.?An alternative?semiclassical method dealing with multi-dimensional molecular dynamics is started?from?the one-dimensional WKB solution from time-independent Schr?dinger e

Headstrong

Global Nonadiabatic Switching Algorithm,state potential energy surfaces from various electronic quantum chemistry methods under Born–Oppenheimer approximation and the second is to formulate nonadiabatic molecular dynamics simulation based on various chemical reaction dynamic methods. Tully’s?fewest nonadiabatic?switching?method?requires t