Fundamental approaches to nonadiabaticity: Toward a chemical theory beyond the Born–Oppenheimer paradigm
T Yonehara, K Hanasaki, K Takatsuka - Chemical Reviews, 2012 - ACS Publications
Nonadiabatic transitions are one of the most important quantum mechanical phenomena in
chemical reaction dynamics. This is because the most interesting chemical and even …
chemical reaction dynamics. This is because the most interesting chemical and even …
[图书][B] Chemical Theory Beyond the Born-Oppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions
K Takatsuka, Y Arasaki, T Yonehara, K Hanasaki - 2014 - books.google.com
This unique volume offers a clear perspective of the relevant methodology relating to the
chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges …
chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges …
Future perspectives of nonadiabatic chemical dynamics
S Nanbu, T Ishida, H Nakamura - Chemical Science, 2010 - pubs.rsc.org
A variety of chemical phenomena are governed by non-adiabatic transitions at conical
intersections of potential energy surfaces, if not directly, but indirectly in the midst of the …
intersections of potential energy surfaces, if not directly, but indirectly in the midst of the …
Nonadiabatic chemical dynamics in intermediate and intense laser fields
K Takatsuka, T Yonehara - Advances in Chemical Physics, 2010 - Wiley Online Library
In this chapter, we study the effects of optical fields of intermediate and high intensity on the
electron wavepacket dynamics that nonadiabatically couples with nuclear motions. In …
electron wavepacket dynamics that nonadiabatically couples with nuclear motions. In …
Nonadiabatic Quantum Chemistry Past, Present, and Future
DR Yarkony - Chemical reviews, 2012 - ACS Publications
This review discusses the current state of the art of theoretical descriptions, and
computational treatments, of nonadiabatic processes; reviews how the field got to this point; …
computational treatments, of nonadiabatic processes; reviews how the field got to this point; …
NONADIABATIC TRANSITIONS: What We Learned from Old Masters and How Much We Owe Them
EE Nikitin - Annual review of physical chemistry, 1999 - annualreviews.org
▪ Abstract This chapter discusses the impact of two-state models of nonadiabatic coupling by
Landau, Zener, Stückelberg, Rosen, and Teller on the current theory of nonadiabatic …
Landau, Zener, Stückelberg, Rosen, and Teller on the current theory of nonadiabatic …
[图书][B] Nonadiabatic transition: concepts, basic theories and applications
H Nakamura - 2012 - books.google.com
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a
fundamental mechanism of state and phase changes in various dynamical processes of …
fundamental mechanism of state and phase changes in various dynamical processes of …
High-fidelity first principles nonadiabaticity: Diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
Nonadiabatic dynamics, which goes beyond the Born–Oppenheimer approximation, has
increasingly been shown to play an important role in chemical processes, particularly those …
increasingly been shown to play an important role in chemical processes, particularly those …
Electronic structure methods for the description of nonadiabatic effects and conical intersections
S Matsika - Chemical Reviews, 2021 - ACS Publications
Nonadiabatic effects are ubiquitous in photophysics and photochemistry, and therefore,
many theoretical developments have been made to properly describe them. Conical …
many theoretical developments have been made to properly describe them. Conical …
[图书][B] Beyond Born-Oppenheimer: electronic nonadiabatic coupling terms and conical intersections
M Baer - 2006 - books.google.com
INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM
MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR …
MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR …