Hans Karlsson

Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride

Karlsson, Hans O.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8482-8488, 2023

• DOI för Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride
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Resonant inelastic x-ray scattering at the N₂ π*-resonance: Lifetime-vibrational interference, radiative electron rearrangement, and wave-function imaging

Kjellsson, Ludvig; Ekholm, Victor; Agåker, Marcus; Såthe, Conny et al.

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2021

• DOI för Resonant inelastic x-ray scattering at the N₂ π*-resonance: Lifetime-vibrational interference, radiative electron rearrangement, and wave-function imaging
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How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?

Vacher, Morgane; Farahani, Pooria; Valentini, Alessio; Frutos, Luis Manuel et al.

Ingår i The Journal of Physical Chemistry Letters, s. 3790-3794, 2017

• DOI för How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?

Non-adabatic dynamics of the 1,2-dioxetane chemiluminescence

Vacher, Morgane; Galván, Ignacio; Brakestad, Anders; Karlsson, Hans et al.

Ingår i Abstracts of Papers of the American Chemical Society, 2017

Dynamical Insights into the Decomposition of 1,2-Dioxetane

Vacher, Morgane; Brakestad, Anders; Karlsson, Hans O.; Fernández Galván, Ignacio et al.

Ingår i Journal of Chemical Theory and Computation, s. 2448-2457, 2017

• DOI för Dynamical Insights into the Decomposition of 1,2-Dioxetane

Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride

Karlsson, Hans O.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8482-8488, 2023

• DOI för Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride
• Ladda ner fulltext (pdf) av Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride

Resonant inelastic x-ray scattering at the N₂ π*-resonance: Lifetime-vibrational interference, radiative electron rearrangement, and wave-function imaging

Kjellsson, Ludvig; Ekholm, Victor; Agåker, Marcus; Såthe, Conny et al.

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2021

• DOI för Resonant inelastic x-ray scattering at the N₂ π*-resonance: Lifetime-vibrational interference, radiative electron rearrangement, and wave-function imaging
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How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?

Vacher, Morgane; Farahani, Pooria; Valentini, Alessio; Frutos, Luis Manuel et al.

Ingår i The Journal of Physical Chemistry Letters, s. 3790-3794, 2017

• DOI för How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?

Non-adabatic dynamics of the 1,2-dioxetane chemiluminescence

Vacher, Morgane; Galván, Ignacio; Brakestad, Anders; Karlsson, Hans et al.

Ingår i Abstracts of Papers of the American Chemical Society, 2017

Dynamical Insights into the Decomposition of 1,2-Dioxetane

Vacher, Morgane; Brakestad, Anders; Karlsson, Hans O.; Fernández Galván, Ignacio et al.

Ingår i Journal of Chemical Theory and Computation, s. 2448-2457, 2017

• DOI för Dynamical Insights into the Decomposition of 1,2-Dioxetane

Wave packet simulations of antiproton scattering on molecular hydrogen

Stegeby, Henrik; Kowalewski, Markus; Piszczatowski, Konrad; Karlsson, Hans O.

Ingår i Journal of Physics B, 2015

• DOI för Wave packet simulations of antiproton scattering on molecular hydrogen

Quantum dynamics simulations of model chemiluminescence systems

Fernández Galván, Ignacio; Karlsson, Hans; Stenrup, Michael; Lindh, Roland

Ingår i Luminescence (Chichester, England Print), s. 67-67, 2014

• DOI för Quantum dynamics simulations of model chemiluminescence systems

Coherent wave packet dynamics in photo-excited Nal

Leitner, Torsten; Buchner, Franziska; Rouzee, Arnaud; Rading, Linea et al.

Ingår i EPJ Web of Conferences, 2013

• DOI för Coherent wave packet dynamics in photo-excited Nal
• Ladda ner fulltext (pdf) av Coherent wave packet dynamics in photo-excited Nal

Ab initio quantum mechanical calculation of the reaction probability for the Cl- + PH2Cl -> ClPH2 + Cl- reaction

Farahani, Pooria; Lundberg, Marcus; Karlsson, Hans O.

Ingår i Chemical Physics, s. 134-140, 2013

• DOI för Ab initio quantum mechanical calculation of the reaction probability for the Cl- + PH2Cl -> ClPH2 + Cl- reaction
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Variational calculations for the hydrogen-antihydrogen system with a mass-scaled Born-Oppenheimer potential

Stegeby, Henrik; Piszczatowski, Konrad; Karlsson, Hans O.; Lindh, Roland et al.

Ingår i CENTRAL EUROPEAN JOURNAL OF PHYSICS, s. 1038-1053, 2012

• DOI för Variational calculations for the hydrogen-antihydrogen system with a mass-scaled Born-Oppenheimer potential

An adaptive pseudospectral method for wave packet dynamics

Kieri, Emil; Holmgren, Sverker; Karlsson, Hans O.

Ingår i Journal of Chemical Physics, 2012

• DOI för An adaptive pseudospectral method for wave packet dynamics
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Internal symmetry and selection rules in resonant inelastic soft x-ray scattering

Sun, Y-P; Pietzsch, A.; Hennies, Franz; Rinkevicius, Z. et al.

Ingår i Journal of Physics B, s. 161002, 2011

• DOI för Internal symmetry and selection rules in resonant inelastic soft x-ray scattering

Spatial Quantum Beats in Vibrational Resonant Inelastic Soft X-Ray Scattering at Dissociating States in Oxygen

Pietzsch, A.; Sun, Y. -P; Hennies, Franz; Rinkevicius, Z. et al.

Ingår i Physical Review Letters, 2011

• DOI för Spatial Quantum Beats in Vibrational Resonant Inelastic Soft X-Ray Scattering at Dissociating States in Oxygen

Global error control of the time-propagation for the Schrödinger equation with a time-dependent Hamiltonian

Kormann, Katharina; Holmgren, Sverker; Karlsson, Hans O.

Ingår i Journal of Computational Science, s. 178-187, 2011

• DOI för Global error control of the time-propagation for the Schrödinger equation with a time-dependent Hamiltonian

Accelerating the convergence of the Lanczos algorithm by the use of a complex symmetric Cholesky factorization: application to correlation functions in quantum molecular dynamics

Karlsson, Hans O.

Ingår i Journal of Physics B, s. 205102, 2011

• DOI för Accelerating the convergence of the Lanczos algorithm by the use of a complex symmetric Cholesky factorization: application to correlation functions in quantum molecular dynamics

Resonant Inelastic Scattering Spectra of Free Molecules with Vibrational Resolution

Hennies, Franz; Pietzsch, Annette; Berglund, Martin; Föhlisch, Alexander et al.

Ingår i Physical Review Letters, s. 193002, 2010

• DOI för Resonant Inelastic Scattering Spectra of Free Molecules with Vibrational Resolution

Strong-field photoionization of O₂ at intermediate light intensity

Kloda, Tomasz; Matsuda, Akitaka; Karlsson, Hans O; Elshakre, Mohamed et al.

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2010

• DOI för Strong-field photoionization of O₂ at intermediate light intensity
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A Fourier-coefficient based solution of an optimal control problem in quantum chemistry

Kormann, Katharina; Holmgren, Sverker; Karlsson, Hans O.

Ingår i Journal of Optimization Theory and Applications, s. 491-506, 2010

• DOI för A Fourier-coefficient based solution of an optimal control problem in quantum chemistry

A perfectly matched layer applied to a reactive scattering problem

Nissen, Anna; Karlsson, Hans O.; Kreiss, Gunilla

Ingår i Journal of Chemical Physics, 2010

• DOI för A perfectly matched layer applied to a reactive scattering problem

Stability of the complex symmetric Lanczos algorithm for computing photodissociation cross sections using smooth exterior scaling or absorbing potentials.

Karlsson, Hans O.

Ingår i Journal of Physics B, s. 125205, 2009

• DOI för Stability of the complex symmetric Lanczos algorithm for computing photodissociation cross sections using smooth exterior scaling or absorbing potentials.

Molecular quantum wave-packet splitting and revivals in shared phase space

Wang, Dong; Larson, Åsa; Hansson, Tony; Karlsson, Hans

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2009

• DOI för Molecular quantum wave-packet splitting and revivals in shared phase space

Experimental and theoretical study of the photodissociation of bromo-3-fluorobenzene

Karlsson, Daniel; Borg, Anders; Lunell, Sten; Davidsson, Jan et al.

Ingår i Journal of Chemical Physics, 2008

• DOI för Experimental and theoretical study of the photodissociation of bromo-3-fluorobenzene

Accurate time propagation for the Schrödinger equation with an explicitly time-dependent Hamiltonian

Kormann, Katharina; Holmgren, Sverker; Karlsson, Hans O.

Ingår i Journal of Chemical Physics, 2008

• DOI för Accurate time propagation for the Schrödinger equation with an explicitly time-dependent Hamiltonian

Quantum interference structures in trapped-ion dynamics beyond the Lamb-Dicke and rotating wave approximations

Wang, Dong; Hansson, Tony; Larson, Åsa; Karlsson, Hans O. et al.

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2008

• DOI för Quantum interference structures in trapped-ion dynamics beyond the Lamb-Dicke and rotating wave approximations

Calculation of highly excited vibrational states using a Richardson-Leja-Davidson scheme

Karlsson, Hans O.

Ingår i Journal of Chemical Physics, 2007

• DOI för Calculation of highly excited vibrational states using a Richardson-Leja-Davidson scheme

Reduced-order modeling, error estimation, and the role of the start-vector: The recursive residue generation method revisited

Karlsson, Hans

Ingår i Journal of Physical Chemistry A, s. 10263-10268, 2007

• DOI för Reduced-order modeling, error estimation, and the role of the start-vector: The recursive residue generation method revisited

Molecular quantum wavepacket revivals in coupled electronic states

Wang, Dong; Larson, Åsa; Karlsson, Hans; Hansson, Tony

Ingår i Chemical Physics Letters, s. 266-271, 2007

• DOI för Molecular quantum wavepacket revivals in coupled electronic states

Photodissociation of Bromobenzene, Dibromobenzene, and 1,3,5-Tribromobenzene

Liu, Ya-Jun; Persson, Petter; Karlsson, Hans O.; Lunell, Sten et al.

Ingår i Journal of Chemical Physics, s. 6502, 2004

• DOI för Photodissociation of Bromobenzene, Dibromobenzene, and 1,3,5-Tribromobenzene

Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene

Liu, Y J; Persson, P; Karlsson, H O; Lunell, S et al.

Ingår i Journal of Chemical Physics, s. 6502-6509, 2004

• DOI för Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene

A study of the inner-valence ionization region in HCl and DCl

Burmeister, F; Andersson, L M; Ohrwall, G; Richter, T et al.

Ingår i Journal of Physics B, s. 1173-1183, 2004

• DOI för A study of the inner-valence ionization region in HCl and DCl

Dynamical interference structures in fully coupled bound-bound state quantum wave-packet dynamics

Gador, N; Zhang, B; Karlsson, H O; Hansson, T

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2004

• DOI för Dynamical interference structures in fully coupled bound-bound state quantum wave-packet dynamics

Dynamical interference structures in fully coupled bound-bound state quantum wave-packet dynamics

Gador, Niklas; Zhang, Bo; Karlsson, Hans; Hansson, Tony

Ingår i Physical Review A, 2004

A study of the inner-valence ionization region in HCl and DCl

Burmeister, Florian; Andersson, L M; Richter, T; Zimmerman, P et al.

Ingår i Journal of Physics B: At. Mol. Opt. Phys., s. 1173, 2004

Lanczos algorithms and cross correlation functions C-if(E)

Karlsson, H O

Ingår i Journal of Theoretical and Computational Chemistry, s. 523-535, 2003

Lanczos algorithms and cross correlation functions

Karlsson, Hans O.

Ingår i Journal of Theoretical and Computatational Chemistry, s. 523, 2003

Cross correlation functions C_nm(E) via Lanczos algorithms without diagonalization

Karlsson, Hans O.; Holmgren, Sverker

Ingår i Journal of Chemical Physics, s. 9116-9123, 2002

• DOI för Cross correlation functions C_nm(E) via Lanczos algorithms without diagonalization

Properties of a discretized coherent state representation and the relation to Gabor analysis

Andersson, L M; Aberg, J; Karlsson, H O; Goscinski, O

Ingår i Journal of Physics A, s. 7787-7801, 2002

Nonadiabatic effects in the photoelectron spectra of HCl and DCl. II. Theory

Andersson, L M; Burmeister, F; Karlsson, H O; Goscinski, O

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2002

• DOI för Nonadiabatic effects in the photoelectron spectra of HCl and DCl. II. Theory

Confirmation of non adiabatic vibrational progression in the inner valence 4sigmaminus photoionization band of DCl and HCl

Burmeister, F. ; Andersson, L. Mauritz; Karlsson, Hans; Goscinski, Osvaldo

Ingår i Phys Rev A, 2002

Nonadiabtic effects in the photoelectron spectra of HCl and DCl II: Theory

Andersson, L Mauritz; Burmeister, Florian; Karlsson, Hans

Ingår i Physical Review A, 2002

Correlation functions and thermal rate constants

Karlsson, H O; Goscinski, O

Ingår i Journal of Physical Chemistry A, s. 2599-2603, 2001

• DOI för Correlation functions and thermal rate constants

Correlation functions and thermal rate constants

Karlsson, Hans; Goscinski, Osvaldo

Ingår i Journal of Physical Chemistry A, s. 2599-2603, 2001

Predissociation resonances in CO and IBr: Smooth exterior scaling combined with the discrete variable representation

Karlsson, Hans O

Ingår i European Physical Journal D, s. 207-212, 2000

• DOI för Predissociation resonances in CO and IBr: Smooth exterior scaling combined with the discrete variable representation

Injection time in the metaloxide-molecule interface calculated within the tight-binding model

Petersson, A; Ratner, M; Karlsson, H O

Ingår i JOURNAL OF PHYSICAL CHEMISTRY B, s. 8498-8502, 2000

• DOI för Injection time in the metaloxide-molecule interface calculated within the tight-binding model

Injection time in the metaloxide-molecule interface calculated within the tight-binding model

Petersson, Åsa; Ratner, Mark; Karlsson, Hans

Ingår i Journal of Physical Chemistry B, s. 8498-8502, 2000

Vibrational wave packet dynamics in NaK: The A (1)Sigma(+) state

Andersson, LM; Karlsson, Hans O; Goscinski, Osvaldo; Berg, Lars-Erik et al.

Ingår i Chemical Physics, s. 43-54, 1999

• DOI för Vibrational wave packet dynamics in NaK: The A (1)Sigma(+) state

Exterior complex dilation for grid methods: Application to the cumulative reaction probability

Karlsson, Hans O

Ingår i Journal of Chemical Physics, s. 3849-3853, 1998

• DOI för Exterior complex dilation for grid methods: Application to the cumulative reaction probability

Accurate resonances and effective absorption of flux using smooth exterior scaling

Karlsson, Hans O

Ingår i Journal of Chemical Physics, s. 9366-9371, 1998

• DOI för Accurate resonances and effective absorption of flux using smooth exterior scaling

Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method

Karlsson, H O; Bendazzoli, G L; Goscinski, O; Evangelisti, S

Ingår i International Journal of Quantum Chemistry, s. 719-728, 1997

Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method

Karlsson, Hans O; Bendazzoli, GL; Goscinski, Osvaldo; Evangelisti, S

Ingår i International Journal of Quantum Chemistry, s. 719-728, 1997

• DOI för Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method

Theoretical calculation of photodetachment intensities for H3O-

Karlsson, Hans O; Thompson, Ward H; Miller, William H

Ingår i Journal of Chemical Physics, s. 5387-5396, 1996

• DOI för Theoretical calculation of photodetachment intensities for H3O-

Theoretical calculation of photodetachment intensities for H3O-

Thompson, W H; Karlsson, H O; Miller, W H

Ingår i Journal of Chemical Physics, s. 5387-5396, 1996

THE QUASI-MINIMAL RESIDUAL ALGORITHM APPLIED TO COMPLEX SYMMETRICAL LINEAR-SYSTEMS IN QUANTUM REACTIVE SCATTERING

KARLSSON, HO

Ingår i Journal of Chemical Physics, s. 4914-4919, 1995

The quasi‐minimal residual algorithm applied to complex symmetric linear systems in quantum reactive scattering

Karlsson, Hans O

Ingår i Journal of Chemical Physics, s. 4914-4919, 1995

• DOI för The quasi‐minimal residual algorithm applied to complex symmetric linear systems in quantum reactive scattering

A DIRECT RECURSIVE RESIDUE GENERATION METHOD - APPLICATION TO PHOTOIONIZATION OF HYDROGEN IN STATIC ELECTRIC-FIELDS

KARLSSON, HO; GOSCINSKI, O

Ingår i Journal of Physics B, s. 1061-1072, 1994

Dynamics of hydrogenic wave packets in electric and magnetic fields

Karlsson, Hans O

Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, s. 3787-3792, 1994

• DOI för Dynamics of hydrogenic wave packets in electric and magnetic fields

A direct recursive residue generation method: application to photoionization of hydrogen in static electric fields

Karlsson, Hans O; Goscinski, Osvaldo

Ingår i Journal of Physics B, s. 1061-1072, 1994

• DOI för A direct recursive residue generation method: application to photoionization of hydrogen in static electric fields

PERTURBED HYDROGENIC MANIFOLDS STUDIED BY THE RECURSIVE RESIDUE GENERATION METHOD

KARLSSON, HO; GOSCINSKI, O

Ingår i Journal of Physics B, s. 5015-5028, 1992

Perturbed hydrogenic manifolds studied by the recursive residue generation method

Karlsson, Hans O; Goscinski, Osvaldo

Ingår i Journal of Physics B, s. 5015-5028, 1992

• DOI för Perturbed hydrogenic manifolds studied by the recursive residue generation method

Swedish eScience Education – a Graduate School in eScience

Hast, Anders; Hanke, Michael; Karlsson, Hans O.

Ingår i Proc. 11th International Conference on e-Science, s. 31-35, 2015

• DOI för Swedish eScience Education – a Graduate School in eScience

Time-marching methods for the time-dependent Schrödinger equation

Holmgren, Sverker; Peterson, Christer; Karlsson, Hans

Ingår i Proc. Int. Conference on Computational and Mathematical Methods in Science and Engineering, s. 53-56, 2004

A Fourier-coefficient based solution of an optimal control problem in quantum chemistry

Kormann, Katharina; Holmgren, Sverker; Karlsson, Hans O.

2009

• Ladda ner fulltext (pdf) av A Fourier-coefficient based solution of an optimal control problem in quantum chemistry

Global error control of the time-propagation for the Schrödinger equation with a time-dependent Hamiltonian

Kormann, Katharina; Holmgren, Sverker; Karlsson, Hans O.

2009

• Ladda ner fulltext (pdf) av Global error control of the time-propagation for the Schrödinger equation with a time-dependent Hamiltonian

UPPMAX Progress Report

Karlsson, Hans; Nyström, Ingela

Uppsala University, 2008