Rate constants and isotope effects for the CH3+H2→CH4+H reaction by an approximate semiclassical initial-value representation method

Representation Method ◽

Simulations of the emission spectra of fac-tris(2-phenylpyridine) iridium and Duschinsky rotation effects using the Herman–Kluk semiclassical initial value representation method

10.1063/1.3027514 ◽

2008 ◽

Vol 129 (21) ◽

pp. 214305 ◽

Cited By ~ 4

Author(s):

Yinghua Wu ◽

Jean-Luc Brédas

Keyword(s):

Emission Spectra ◽

Initial Value ◽

Representation Method ◽

Nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation method revisited: Applications to Tully’s three model systems

10.1063/1.2049251 ◽

2005 ◽

Vol 123 (14) ◽

pp. 144106 ◽

Cited By ~ 29

Author(s):

Yinghua Wu ◽

Michael F. Herman

Keyword(s):

Model Systems ◽

Initial Value ◽

Surface Hopping ◽

Representation Method ◽

Semiclassical initial value representation for the Boltzmann operator in thermal rate constants

10.1063/1.1517044 ◽

2002 ◽

Vol 117 (21) ◽

pp. 9605-9610 ◽

Cited By ~ 34

Author(s):

Yi Zhao ◽

William H. Miller

Keyword(s):

Rate Constants ◽

Initial Value ◽

Thermal Rate Constants ◽

Application of the mixed time-averaging semiclassical initial value representation method to complex molecular spectra

10.1063/1.4998510 ◽

2017 ◽

Vol 147 (16) ◽

pp. 164110 ◽

Cited By ~ 22

Author(s):

Max Buchholz ◽

Frank Grossmann ◽

Michele Ceotto

Keyword(s):

Time Averaging ◽

Molecular Spectra ◽

Initial Value ◽

Representation Method ◽

Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems

10.1063/1.480560 ◽

2000 ◽

Vol 112 (1) ◽

pp. 47-55 ◽

Cited By ~ 99

Author(s):

Haobin Wang ◽

Michael Thoss ◽

William H. Miller

Keyword(s):

Rate Constants ◽

Initial Value ◽

Molecular Systems ◽

Thermal Rate Constants ◽

Semiclassical initial value representation study of internal conversion rates

10.1063/1.3599053 ◽

2011 ◽

Vol 134 (23) ◽

pp. 234305 ◽

Cited By ~ 3

Author(s):

Reuven Ianconescu ◽

Eli Pollak

Keyword(s):

Internal Conversion ◽

Initial Value ◽

Conversion Rates ◽

Semiclassical initial value representation: From Møller to Miller

10.1063/5.0023137 ◽

2020 ◽

Vol 153 (17) ◽

pp. 174102

Author(s):

Laurent Bonnet

Keyword(s):

Initial Value ◽

A numerical test of different integral conditioning approximations for a semiclassical initial value representation for wavepacket propagation

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00052-9 ◽

1998 ◽

Vol 286 (5-6) ◽

pp. 361-368 ◽

Cited By ~ 33

Author(s):

Brianna E Guerin ◽

Michael F Herman

Keyword(s):

Numerical Test ◽

Initial Value ◽

Wavepacket Propagation ◽

A study of the semiclassical initial value representation at short times

10.1063/1.1458924 ◽

2002 ◽

Vol 116 (14) ◽

pp. 5925-5932 ◽

Cited By ~ 49

Author(s):

Joachim Ankerhold ◽

Markus Saltzer ◽

Eli Pollak

Keyword(s):

Initial Value ◽

Short Times ◽

Erratum: Investigating quantum transport with an initial value representation of the semiclassical propagator [Phys. Rev. E80, 031101 (2009)]

Physical Review E ◽

10.1103/physreve.82.019902 ◽

2010 ◽

Vol 82 (1) ◽

Author(s):

Christoph-Marian Goletz ◽

Frank Grossmann ◽

Steven Tomsovic

Keyword(s):

Quantum Transport ◽

Initial Value ◽