Gaussian wave packet dynamics and scattering in the interaction picture (original) (raw)

Quantum dynamics simulations of photodissociation reactions

Nathalie Vaeck

International Journal of Quantum Chemistry, 2006

View PDFchevron_right

Application of the Interaction Picture to Reactive Scattering in One Dimension

Michael MacLachlan

View PDFchevron_right

Algorithms and Computer Codes for Atomic and Molecular Quantum Scattering Theory. Volume 1

jos de backer

2010

View PDFchevron_right

Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering

A. Kondorskiy

2015

View PDFchevron_right

Application of the quantum theory of scattering to the calculation of the simplest chemical reactions

Serg Pozdneev

Chemical Physics, 1988

View PDFchevron_right

Semiclassical Wave Packet Dynamics with Electronic Structure Computed on the Fly: Application to Photophysics of Electronic Excited States in Condensed Phase

Alfredo Cardenas

The Journal of Physical Chemistry A, 1999

View PDFchevron_right

Quantum dynamics studies of the photodissociation of molecular systems

Simon Neville

2013

View PDFchevron_right

Semiclassical Wave Packet Treatment of Scattering Resonances: Application to the Delta Zero-Point Energy Effect in Recombination Reactions

Evgeny Vetoshkin

Physical Review Letters, 2007

View PDFchevron_right

Quantal wavepacket calculations of reactive scattering

V Mohan

Computer Physics Reports, 1988

View PDFchevron_right

Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol

Georgia Christopoulou

Physical Chemistry Chemical Physics, 2021

View PDFchevron_right

Product state distribution in time-dependent quantum wave packet calculation with an optical potential

omar Sharafeddin

Chemical Physics, 1992

View PDFchevron_right

Accurate time dependent wave packet calculations for the N + OH reaction

Niyazi Bulut, Octavio Roncero

The Journal of Chemical Physics, 2011

View PDFchevron_right

Dynamical Green’s function and an exact optical potential for electron-molecule scattering including nuclear dynamics

Joachim Brand, Hans-dieter Meyer

View PDFchevron_right

Time-dependent wavepacket calculations of molecular scattering from surfaces

Ronnie Kosloff

Computer Physics Reports, 1986

View PDFchevron_right

Time-Dependent Quantum Wave Packet Calculations of Three-Dimensional He-O2 Inelastic Scattering

Fahrettin Gogtas

Journal of Chemical Theory and …, 2006

View PDFchevron_right

A computer program to calculate the total energy absorption cross-section for the photodissociation of a diatomic molecule arising from a bound state → repulsive state transition using time dependent quantum dynamical methods

Carling Marston

Computer Physics Communications, 1993

View PDFchevron_right

Determination of all scattering phases and amplitudes in the photodissociation of a diatomic molecule

Oleg Vasyutinskii

Molecular Physics, 2007

View PDFchevron_right

Propagation Methods for Quantum Molecular Dynamics

ronnie Kosloff

Annual Review of Physical Chemistry, 1994

View PDFchevron_right

The coupled channel density matrix method for open quantum systems: Formulation and application to the vibrational relaxation of molecules scattering from nonrigid surfaces

Lorenzo Pesce

1998

View PDFchevron_right

A complex Gaussian approach to molecular photoionization

Abdallah Ammar

Journal of Computational Chemistry, 2021

View PDFchevron_right

Semiclassical application of the Mo̸ller operators in reactive scattering

Sophya Garashchuk

The Journal of Chemical Physics, 2001

View PDFchevron_right

Comparative Study of Semiclassical Approaches to Quantum Dynamics

Vladimir Filinov

International Journal of Modern Physics C - IJMPC, 2009

View PDFchevron_right

Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique

Jacek Jakowski, Srinivasan Iyengar

Journal of Chemical Theory and Computation, 2006

View PDFchevron_right

Reactant-product decoupling method for state-to-state reactive scattering: A case study for 3D H+H2 exchange reaction (J=0)

tong peng

The Journal of Chemical Physics, 1997

View PDFchevron_right

A wave packet Golden Rule treatment of vibrational predissociation

Pablo Villarreal

The Journal of Chemical Physics, 1991

View PDFchevron_right

Semiclassical Wigner theory of photodissociation in three dimensions: Shedding light on its basis

Alberto García-vela

The Journal of chemical physics, 2015

View PDFchevron_right

A time-dependent wave packet quantum scattering study of the reaction HD+(v=–3;j=1)+He→HeH+(HeD+)+D(H)

Rainer Dressler

The Journal of Chemical Physics, 2007

View PDFchevron_right

Similarities and differences in e± molecule scattering: Applications of the Schwinger multichannel method

Romarly da Costa

Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms, 2006

View PDFchevron_right

A wavepacket — path integral method for curve-crossing problems: application to resonance Raman spectra and photodissociation cross sections

Alfredo Cardenas

Chemical Physics Letters, 1997

View PDFchevron_right

Semiclassical calculation of quantum‐mechanical wave functions for a two‐dimensional scattering system

Stephen Knudson

The Journal of Chemical Physics, 1985

View PDFchevron_right

An introduction to classical molecular dynamics simulation for experimental scattering users

Karen Edler

Journal of Applied Crystallography, 2019

View PDFchevron_right