Quantum Wavepacket Ab Initio Molecular Dynamics for Extended Systems
Author:
Affiliation:
1. Department of Chemistry and Department of Physics, Indiana University, 800 East Kirkwood Avenue, Bloomington, IN 47405
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp112389m
Reference125 articles.
1. Quantum wave packet ab initio molecular dynamics: An approach to study quantum dynamics in large systems
2. Ab initio dynamics with wave-packets and density matrices
3. Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique
4. Quantum Wavepacket Ab Initio Molecular Dynamics: An Approach for Computing Dynamically Averaged Vibrational Spectra Including Critical Nuclear Quantum Effects
5. Combining quantum wavepacketab initiomolecular dynamics with QM/MM and QM/QM techniques: Implementation blendingONIOMand empirical valence bond theory
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