An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical-Reference-Cited by-同舟云学术

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An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical

Published:2017-06-28 Issue:21-22 Volume:115 Page:2833-2848
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Mukherjee Bijit¹,Mukherjee Saikat¹,Sardar Subhankar²,Shamasundar K. R.³,Adhikari Satrajit¹

Affiliation:

1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Kolkata, India

2. Department of Chemistry, Bhatter College, Paschim Midnapore, India

3. Department of Chemical Sciences, Indian Institute of Science Education and Research, Mohali, India

Funder

CSIR

Department of Science and Technology

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2017.1340680

Reference52 articles.

1. Zur Quantentheorie der Molekeln

2. Dynamical Theory of Crystal Lattices

3. A study of conical intersection effects on scattering processes: The validity of adiabatic single‐surface approximations within a quasi‐Jahn–Teller model

4. Extended approximated Born-Oppenheimer equation. II. Application

5. On the consequences of nonremovable derivative couplings. I. The geometric phase and quasidiabatic states: A numerical study

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