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- Christopher L Malbon, Xiaolei Zhu, Hua Guo, David R Yarkony
- The Journal of chemical physics
- 2016

For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes theâ€¦ (More)

- David R Yarkony
- The Journal of chemical physics
- 2005

The conceptual description of nuclear dynamics near a conical intersection generally focuses on the branching plane, the two-dimensional subspace in which the conical topography is evinced, to theâ€¦ (More)

- Changjian Xie, Christopher L Malbon, David R Yarkony, Hua Guo
- The Journal of chemical physics
- 2017

The quantum mechanical nonadiabatic photodissociation dynamics of the hydroxymethyl (CH2OH) radical in its lowest absorption band is investigated for the first time on a set of coupled diabaticâ€¦ (More)

- Ravinder Abrol, Amy J. Shaw, Aron Kuppermann, Arthur Amos Noyes, David R Yarkony
- 2001

A conical intersection exists between the ground ~1 2 A8) and the first-excited ~2 A8) electronic potential energy surfaces ~PESs! of the H3 system for C3v geometries. This intersection induces aâ€¦ (More)

- Richard A Young, David R Yarkony
- The Journal of chemical physics
- 2006

Nonadiabatic effects in the two lowest electronic states of the ethoxy radical, the 1 (2)A and 2 (2)A states, are considered, using multireference configuration interaction (MRCI) wave functionsâ€¦ (More)

- Christopher L Malbon, David R Yarkony
- The Journal of chemical physics
- 2017

A coupled diabatic state representation, Hd, of the 1, 2, 3â€‰2A states of CH2OH suitable for the description of the three channel, three state photodissociation process CH2OH(1â€‰2A) + hv â†’ CH2OH(2, 3â€¦ (More)

- Julia H. Lehman, Marsha I. Lester, David R Yarkony
- The Journal of chemical physics
- 2012

The outcomes following collisional quenching of electronically excited OH A (2)Î£(+) by O(2) and CO are examined in a combined experimental and theoretical study. The atomic products from reactiveâ€¦ (More)

- Michal Dallos, Hans Lischka, Ron Shepard, David R Yarkony, PÃ©ter G Szalay
- The Journal of chemical physics
- 2004

The method for the analytic calculation of the nonadiabatic coupling vector at the multireference configuration-interaction (MR-CI) level and its program implementation into the COLUMBUS programâ€¦ (More)

- Spiridoula Matsika, David R Yarkony
- Journal of the American Chemical Society
- 2003

Conical intersections of three states of the same symmetry are located in the pyrazolyl radical using wave functions of approximately 40 million configuration state functions. The three-stateâ€¦ (More)

- David R Yarkony
- Chemical reviews
- 2012

1. Background and Definitions 481 1.1. Some History 481 1.2. Conical Intersections, Derivative Couplings and the Diabatic Representation 482 1.3. Classifying Conical Intersections: Symmetryâ€¦ (More)