A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the Cases of Trivial and Near-Trivial Crossings-Reference-Cited by-同舟云学术

A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the Cases of Trivial and Near-Trivial Crossings

Published:2019-12-23 Issue:2 Volume:16 Page:835-846
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhou Zeyu¹^ORCID,Jin Zuxin¹,Qiu Tian¹^ORCID,Rappe Andrew M.¹^ORCID,Subotnik Joseph Eli¹

Affiliation:

1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States

Funder

Basic Energy Sciences

Air Force Office of Scientific Research

Vagelos Institute for Energy Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00952

Reference29 articles.

1. Studies of the Jahn-Teller effect .II. The dynamical problem

2. Adiabatic and diabatic representations for atom-molecule collisions: Treatment of the collinear arrangement

3. On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei

4. Quantal phase factors accompanying adiabatic changes

5. Holonomy, the Quantum Adiabatic Theorem, and Berry's Phase

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