화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study (vol 115, pg 7945, 2001)
Jasper AW, Hack MD, Chakraborty A, Truhlar DG, Piecuch P
Journal of Chemical Physics, 119(17), 9321, 2003
2 Coupled quasidiabatic potential energy surfaces for LiFH
Jasper AW, Hack MD, Truhlar DG, Piecuch P
Journal of Chemical Physics, 116(19), 8353, 2002
3 Electronically nonadiabatic trajectories: Continuous surface switching II
Hack MD, Truhlar DG
Journal of Chemical Physics, 114(7), 2894, 2001
4 A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories
Hack MD, Truhlar DG
Journal of Chemical Physics, 114(21), 9305, 2001
5 Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics
Hack MD, Wensmann AM, Truhlar DG, Ben-Nun M, Martinez TJ
Journal of Chemical Physics, 115(3), 1172, 2001
6 The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations
Jasper AW, Hack MD, Truhlar DG
Journal of Chemical Physics, 115(4), 1804, 2001
7 Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study
Jasper AW, Hack MD, Chakraborty A, Truhlar DG, Piecuch P
Journal of Chemical Physics, 115(17), 7945, 2001
8 Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics
Volobuev YL, Hack MD, Topaler MS, Truhlar DG
Journal of Chemical Physics, 112(22), 9716, 2000
9 Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?
Hack MD, Jasper AW, Volobuev YL, Schwenke DW, Truhlar DG
Journal of Physical Chemistry A, 104(2), 217, 2000
10 Nonadiabatic trajectories at an exhibition
Hack MD, Truhlar DG
Journal of Physical Chemistry A, 104(34), 7917, 2000