Attosecond electron dynamics in molecules
Advances in attosecond science have led to a wealth of important discoveries in atomic,
molecular, and solid-state physics and are progressively directing their footsteps toward …
molecular, and solid-state physics and are progressively directing their footsteps toward …
Accuracy and interpretability: The devil and the holy grail. New routes across old boundaries in computational spectroscopy
The past decade has witnessed an increasing interaction between experiment and theory in
the field of molecular spectroscopy. On the computational side, ongoing developments of …
the field of molecular spectroscopy. On the computational side, ongoing developments of …
Time‐dependent coupled‐cluster theory
B Sverdrup Ofstad, E Aurbakken… - Wiley …, 2023 - Wiley Online Library
Recent years have witnessed an increasing interest in time‐dependent coupled‐cluster
(TDCC) theory for simulating laser‐driven electronic dynamics in atoms and molecules, and …
(TDCC) theory for simulating laser‐driven electronic dynamics in atoms and molecules, and …
Electron–molecule collision calculations using the R-matrix method
J Tennyson - Physics Reports, 2010 - Elsevier
The R-matrix method is an embedding procedure which is based on the division of space
into an inner region where the physics is complicated and an outer region for which greatly …
into an inner region where the physics is complicated and an outer region for which greatly …
UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule
scattering code. Key features of the implementation are the use of quantum chemistry codes …
scattering code. Key features of the implementation are the use of quantum chemistry codes …
Dual kinetic balance approach to basis-set expansions for the Dirac equation
VM Shabaev, II Tupitsyn, VA Yerokhin, G Plunien… - Physical review …, 2004 - APS
A new approach to finite basis sets for the Dirac equation is developed. It does not involve
spurious states and improves the convergence properties of basis-set calculations …
spurious states and improves the convergence properties of basis-set calculations …
Angular dependence of photoemission time delay in helium
Time delays of electrons emitted from an isotropic initial state with the absorption of a single
photon and leaving behind an isotropic ion are angle independent. Using an interferometric …
photon and leaving behind an isotropic ion are angle independent. Using an interferometric …
BSR: B-spline atomic R-matrix codes
O Zatsarinny - Computer physics communications, 2006 - Elsevier
BSR is a general program to calculate atomic continuum processes using the B-spline R-
matrix method, including electron–atom and electron–ion scattering, and radiative …
matrix method, including electron–atom and electron–ion scattering, and radiative …
Solving the three-body Coulomb breakup problem using exterior complex scaling
CW McCurdy, M Baertschy… - Journal of Physics B …, 2004 - iopscience.iop.org
Electron-impact ionization of the hydrogen atom is the prototypical three-body Coulomb
breakup problem in quantum mechanics. The combination of subtle correlation effects and …
breakup problem in quantum mechanics. The combination of subtle correlation effects and …
Qprop: A Schrödinger-solver for intense laser–atom interaction
The Qprop package is presented. Qprop has been developed to study laser–atom
interaction in the nonperturbative regime where nonlinear phenomena such as above …
interaction in the nonperturbative regime where nonlinear phenomena such as above …