Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique-Reference-Cited by-同舟云学术

Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique

Published:2006-08-17 Issue:5 Volume:2 Page:1203-1219
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jakowski Jacek¹,Sumner Isaiah¹,Iyengar Srinivasan S.¹

Affiliation:

1. Departments of Chemistry and Physics, Indiana University, 800 E. Kirkwood Avenue, Bloomington, Indiana 47405

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct600131g

Reference136 articles.

1. Classical and quantum dynamics in condensed phase simulations;Berne, B. J., Ciccotti, G., Coker, D. F., Eds.; World Scientific: 1997.

2. Quantum mechanical reactive scattering for three‐dimensional atom plus diatom systems. I. Theory

3. Theory of electronic transitions in slow atomic collisions

4. Solution of the Schrödinger equation by a spectral method II: Vibrational energy levels of triatomic molecules

Cited by 34 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics;The Journal of Physical Chemistry A;2024-07-01

2. Time-dependent wave packet’s dynamics of a particle confined in the linear potential;The European Physical Journal D;2024-06

3. Reformulation of All ONIOM-Type Molecular Fragmentation Approaches and Many-Body Theories Using Graph-Theory-Based Projection Operators: Applications to Dynamics, Molecular Potential Surfaces, Machine Learning, and Quantum Computing;The Journal of Physical Chemistry A;2024-01-05

4. Graph-Theoretic Molecular Fragmentation for Potential Surfaces Leads Naturally to a Tensor Network Form and Allows Accurate and Efficient Quantum Nuclear Dynamics;Journal of Chemical Theory and Computation;2022-11-04

5. Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions;Journal of Chemical Theory and Computation;2021-10-08