[HTML][HTML] Multiple ionization and Coulomb explosion of molecules, molecular complexes, clusters and solid surfaces

T Yatsuhashi, N Nakashima - Journal of Photochemistry and Photobiology …, 2018 - Elsevier
Intense femtosecond lasers as well as X-ray free electron lasers provide new means to
produce multiply charged molecular cations. The fragmentation processes that these high …

Extreme scalability of DFT-based QM/MM MD simulations using MiMiC

V Bolnykh, JMH Olsen, S Meloni… - Journal of chemical …, 2019 - ACS Publications
We present a highly scalable DFT-based QM/MM implementation developed within MiMiC, a
recently introduced multiscale modeling framework that uses a loose-coupling strategy in …

Subfemtosecond tracing of molecular dynamics during strong-field interaction

V Hanus, S Kangaparambil, S Larimian… - Physical Review Letters, 2019 - APS
We introduce and experimentally demonstrate a method where the two intrinsic timescales
of a molecule, the slow nuclear motion and the fast electronic motion, are simultaneously …

Electronic relaxation and dissociation dynamics in formaldehyde: pump wavelength dependence

T Endo, SP Neville, P Lassonde, C Qu… - Physical Chemistry …, 2022 - pubs.rsc.org
The effect of the incident UV pump wavelength on the subsequent excited state dynamics,
electronic relaxation, and ultimate dissociation of formaldehyde is studied using first …

Carrier envelope phase sensitivity of photoelectron circular dichroism

V Hanus, S Kangaparambil, M Richter… - Physical Chemistry …, 2023 - pubs.rsc.org
We report on a combined experimental and numerical study of photoelectron circular
dichroism (PECD) induced by intense few-cycle laser pulses, using methyloxirane as the …

Strong-field ionization of CH 3 Cl: proton migration and association

R Das, DK Pandey, S Soumyashree… - Physical Chemistry …, 2022 - pubs.rsc.org
Strong-field ionization of CH3Cl using femtosecond laser pulses, and the subsequent two-
body dissociation of CH3Cl2+ along Hn+ (n= 1–3) and HCl+ forming pathways, have been …

Four-body-fragmentation dynamics of acetylene by highly-charged-ion impact

K Kumar, MAKA Siddiki, J Mukherjee, H Singh, D Misra - Physical Review A, 2024 - APS
The four-body fragmentation of acetylene molecular ions (C 2 H 2 q+, 4≤ q≤ 8) upon
impact with 1 MeV Ar 8+ projectile ions with C 2 H 2 molecules, using cold target recoil ion …

Distinguishing two mechanisms for enhanced ionization of using orthogonal two-color laser fields

K Liu, I Barth - Physical Review A, 2021 - APS
We theoretically study the ionization enhancement of the diatomic molecular ion H 2+ at two
critical internuclear distances R, using orthogonal two-color laser fields. The polarization of …

Multielectron Effects in the Strong Field Sequential Ionization of Aligned CH3I Molecules

S Luo, W Hu, J Yu, X Li, L He, C Wang… - The Journal of …, 2017 - ACS Publications
Strong field sequential ionization of symmetric-top CH3I molecules is studied experimentally
by using a combined method of femtosecond laser-induced impulsive alignment and time-of …

[HTML][HTML] Time-resolved nuclear dynamics in bound and dissociating acetylene

C Burger, A Atia-Tul-Noor, T Schnap**er, H Xu… - Structural …, 2018 - pubs.aip.org
We have investigated nuclear dynamics in bound and dissociating acetylene molecular ions
in a time-resolved reaction microscopy experiment with a pair of few-cycle pulses. Vibrating …