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Surface hopping

Surface hopping is a mixed quantum-classical technique that incorporates quantum mechanical effects into molecular dynamics simulations. Traditional… 
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Related topics

Related topics

7 relations
Hamiltonian (quantum mechanics)Molecular dynamicsNewton-XProbability amplitude

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2013
2013
First-Principles Study of p-n-Doped Silicon Quantum Dots: Charge Transfer, Energy Dissipation, and Time-Resolved Emission
Electron–phonon coupling controls nonradiative relaxation dynamics of the photoexcited electron–hole pair in semiconductor… 
2012
2012
First-Order Studies of Nanometric Biferroic
Magnetoelectric biferroic nanocomposite with composition 0.5Ni0.5Zn0.5Fe2O4 + 0.5BaTiO3 was synthesized by ceramic technique. The… 
2010
2010
Competing orders in the generalized Hund chain model at half-filling
By using a combination of several non-perturbative techniques -- a one-dimensional field theoretical approach together with… 
2009
2009
Consistent statistical treatment of the renormalized mean-field t-J model
A variational treatment of the Gutzwiller\char22{}renormalized $t\text{\ensuremath{-}}J$ Hamiltonian combined with the mean-field… 
Highly Cited
2009
Highly Cited
2009
Efficient Polymer Solar Cells with Thin Active Layers Based on Alternating Polyfluorene Copolymer/Fullerene Bulk Heterojunctions
Adv. Mater. 2009, 21, 1–5 2009 WILEY-VCH Verlag Gmb Polymer solar cells have evolved as a promising costeffective alternative to… 
1998
1998
Direct Measurement of Intercage Hopping in Strongly Adsorbing Guest-Zeolite Systems
D. E. Favre,1 D. J. Schaefer,1 S. M. Auerbach,2 and B. F. Chmelka1,* 1Department of Chemical Engineering, University of… 
1993
1993
Dynamic-angle spinning without sidebands
1991
1991
U(1) L ⊗ U(1) R symmetric yukawa model in the symmetric phase
1989
1989
Ion migration following charge transfer reactions in rare-gas solids: The role of hole hopping
1981
1981
CONTRIBUTION OF SINGLE POLARON HOPPING TO AC CONDUCTION IN AMORPHOUS CHALCOGENIDES
- Although it is now fairly well established that defects in amor- phous chalcogenide semiconductors are normally charged (D+ and… 
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