| 1 |
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism
Lischka H, Dallos M, Szalay PG, Yarkony DR, Shepard R
Journal of Chemical Physics, 120(16), 7322, 2004 |
| 2 |
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. II. Minima on the crossing seam: Formaldehyde and the photodimerization of ethylene
Dallos M, Lischka H, Shepard R, Yarkony DR, Szalay PG
Journal of Chemical Physics, 120(16), 7330, 2004 |
| 3 |
Valence and Rydberg states of protonated formaldehyde
Antol I, Eckert-Maksic M, Muller T, Dallos M, Lischka H
Chemical Physics Letters, 374(5-6), 587, 2003 |
| 4 |
The valence-excited states T-1-T-4 and S-1-S-2 of acetylene: A high-level MR-CISD and MR-AQCC investigation of stationary points, potential energy surfaces, and surface crossings
Ventura E, Dallos M, Lischka H
Journal of Chemical Physics, 118(4), 1702, 2003 |
| 5 |
Revisiting the stationary points on the potential energy surface of tetramethylene at the MR-AQCC level using analytic gradients
Ventura E, Dallos M, Lischka H
Journal of Chemical Physics, 118(24), 10963, 2003 |
| 6 |
Cope rearrangement of 1,5-hexadiene: Full geometry optimizations using analytic MR-CISD and MR-AQCC gradient methods
Ventura E, do Monte SA, Dallos M, Lischka H
Journal of Physical Chemistry A, 107(8), 1175, 2003 |
| 7 |
Geometry optimization of excited valence states of formaldehyde using analytical multireference configuration interaction singles and doubles and multireference averaged quadratic coupled-cluster gradients, and the conical intersection formed by the 1 B-1(1)(sigma-pi(*)) and 2 (1)A(1)(pi-pi(*)) states
Dallos M, Muller T, Lischka H, Shepard R
Journal of Chemical Physics, 114(2), 746, 2001 |
| 8 |
The ethylene 1 B-1(1u) V state revisited
Muller T, Dallos M, Lischka H
Journal of Chemical Physics, 110(15), 7176, 1999 |
