Modern aspects of the Jahn− Teller effect theory and applications to molecular problems
IB Bersuker - Chemical reviews, 2001 - ACS Publications
I begin this review with a statement that the socalled Jahn-Teller (JT) effect (hereafter JTE),
pseudo-JTE (PJTE), and Renner-Teller effect (RTE), jointly JT vibronic coupling effects, are …
pseudo-JTE (PJTE), and Renner-Teller effect (RTE), jointly JT vibronic coupling effects, are …
TIME-RESOLVED PHOTOELECTRON ANGULAR DISTRIBUTIONS: Concepts, Applications, and Directions
T Seideman - Annual review of physical chemistry, 2002 - annualreviews.org
▪ Abstract The use of photoelectron angular distributions (PADs) as a probe in short-pulse,
pump-probe scenarios is reviewed. We focus on concepts, on the insight that can be gained …
pump-probe scenarios is reviewed. We focus on concepts, on the insight that can be gained …
Conical Intersection Dynamics in NO2 Probed by Homodyne High-Harmonic Spectroscopy
Conical intersections play a crucial role in the chemistry of most polyatomic molecules,
ranging from the simplest bimolecular reactions to the photostability of DNA. The real-time …
ranging from the simplest bimolecular reactions to the photostability of DNA. The real-time …
Direct diabatization of electronic states by the fourfold way. II. Dynamical correlation and rearrangement processes
H Nakamura, DG Truhlar - The Journal of chemical physics, 2002 - pubs.aip.org
Diabatic representation of coupled potential energy surfaces and their scalar couplings
provides a compact and convenient starting point for dynamics calculations carried out in …
provides a compact and convenient starting point for dynamics calculations carried out in …
Construction scheme for regularized diabatic states
A simple construction scheme for quasidiabatic electronic states implemented earlier for a
Jahn–Teller situation [J. Chem. Phys. 110, 9371 (1999)] is extended to the case of a seam of …
Jahn–Teller situation [J. Chem. Phys. 110, 9371 (1999)] is extended to the case of a seam of …
Time-resolved photoelectron spectroscopy of wavepackets through a conical intersection in NO2
Y Arasaki, K Takatsuka, K Wang… - The Journal of chemical …, 2010 - pubs.aip.org
We report the results of theoretical studies of the time-resolved femtosecond photoelectron
spectroscopy of quantum wavepackets through the conical intersection between the first two …
spectroscopy of quantum wavepackets through the conical intersection between the first two …
[LIVRE][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 …
[HTML][HTML] Potential energy surfaces for high-energy N+ O2 collisions
Potential energy surfaces for high-energy collisions between an oxygen molecule and a
nitrogen atom are useful for modeling chemical dynamics in shock waves. In the present …
nitrogen atom are useful for modeling chemical dynamics in shock waves. In the present …
Quasidiabatic states described by coupled-cluster theory
T Ichino, J Gauss, JF Stanton - The Journal of chemical physics, 2009 - pubs.aip.org
In an attempt to expand the utility of the model Hamiltonian technique developed by Köppel,
Domcke, and Cederbaum (KDC)[Adv. Chem. Phys. 57, 59 (1984)], an ansatz for …
Domcke, and Cederbaum (KDC)[Adv. Chem. Phys. 57, 59 (1984)], an ansatz for …
[HTML][HTML] Potential energy surface of triplet N2O2
We present a global ground-state triplet potential energy surface for the N 2 O 2 system that
is suitable for treating high-energy vibrational-rotational energy transfer and collision …
is suitable for treating high-energy vibrational-rotational energy transfer and collision …