Abstract
A principle which should prove useful in computations of couled potential energy surfaces was proposed. In particular, a theorem where U1 and U2 were adiabtic electronic energy levels, with U2 the higher level by convention was proved. This paper proves a theorem which says that when one encounters a local minimum of the gap between two potential energy surfaces, almost always it was the shoulder of a conical intersection.
Original language | English (US) |
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Article number | 032501 |
Pages (from-to) | 032501/1-032501/2 |
Journal | Physical Review A - Atomic, Molecular, and Optical Physics |
Volume | 68 |
Issue number | 3 |
DOIs | |
State | Published - Sep 1 2003 |