DR Yarkony - The Journal of Physical Chemistry A, 2001 - ACS Publications
During the past decade the perception of conical intersections has changed. It is now appreciated that what was once viewed largely as a theoretical curiosity is an essential …
HC Longuet-Higgins - … of the Royal Society of London. A …, 1975 - royalsocietypublishing.org
It is proved that if the wave function of a given electronic state changes sign when transported adiabatically round a loop in nuclear configuration space, then the state must …
The theory of atom-molecule collisions is one of the basic fields in chemi cal physics. Its most challenging part-the dynamics of chemical reactions-is as yet unresolved, but is …
AJC Varandas - Advances in Chemical Physics, 1988 - Wiley Online Library
Intermolecular and Intramolecular Potentials: Topographical Aspects, Calculation, and Functional Representation via A Double Many‐Body Expansion Method Page 261 INTERMOLECULAR …
CA Mead - The Journal of Chemical Physics, 1979 - pubs.aip.org
Two new proofs are presented for the well‐known noncrossing rule. It is believed that these proofs are not subject to the objections recently raised against other proofs in the literature …
AJ Stone - Proceedings of the Royal Society of London …, 1976 - royalsocietypublishing.org
Longuet-Higgins' theorem, which shows that the existence of intersections between potential energy surfaces may be deduced from the behaviour of the wavefunction at points remote …
ER Davidson - Journal of the American Chemical Society, 1977 - ACS Publications
A new coordinate system for describing triatomic molecules is introduced. Within this coordinate system various to-pological features of importance are discussed. Particular …
We derive the crossing conditions at conical intersections between electronic states in coupled cluster theory and show that if the coupled cluster Jacobian matrix is nondefective …
J Peng, Y Xie, D Hu, L Du, Z Lan - Acta Phys.-Chim. Sin, 2019 - researchgate.net
Nonadiabatic processes widely exist in photochemistry and photophysics. The theoretical treatment of nonadiabatic processes is an important challenge in theoretical chemistry. In …