Molecular photodissociation dynamics revealed by Coulomb explosion imaging

SW Crane, JWL Lee, MNR Ashfold… - Physical Chemistry …, 2023‏ - pubs.rsc.org
Coulomb explosion imaging (CEI) methods are finding ever-growing use as a means of
exploring and distinguishing the static stereo-configurations of small quantum systems …

[HTML][HTML] Perspective: Fundamental aspects of time-dependent density functional theory

NT Maitra - The Journal of Chemical Physics, 2016‏ - pubs.aip.org
In the thirty-two years since the birth of the foundational theorems, time-dependent density
functional theory has had a tremendous impact on calculations of electronic spectra and …

Two-electron Rabi oscillations in real-time time-dependent density-functional theory

BF Habenicht, NP Tani, MR Provorse… - The Journal of chemical …, 2014‏ - pubs.aip.org
We investigate the Rabi oscillations of electrons excited by an applied electric field in
several simple molecular systems using time-dependent configuration interaction (TDCI) …

Multiparticle cumulant map** for Coulomb explosion imaging

C Cheng, LJ Frasinski, G Moğol, F Allum, AJ Howard… - Physical Review Letters, 2023‏ - APS
We extend covariance velocity map ion imaging to four particles, establishing cumulant
map** and allowing for measurements that provide insights usually associated with …

Tabletop imaging of structural evolutions in chemical reactions demonstrated for the acetylene cation

H Ibrahim, B Wales, S Beaulieu, BE Schmidt… - Nature …, 2014‏ - nature.com
The introduction of femto-chemistry has made it a primary goal to follow the nuclear and
electronic evolution of a molecule in time and space as it undergoes a chemical reaction …

X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2

J Unwin, F Allum, M Britton, I Gabalski… - Communications …, 2023‏ - nature.com
Structural imaging of transient excited-state species is a key goal of molecular physics,
promising to unveil rich information about the dynamics underpinning photochemical …

Native frames: Disentangling sequential from concerted three-body fragmentation

J Rajput, T Severt, B Berry, B Jochim, P Feizollah… - Physical Review Letters, 2018‏ - APS
A key question concerning the three-body fragmentation of polyatomic molecules is the
distinction of sequential and concerted mechanisms, ie, the stepwise or simultaneous …

Filming enhanced ionization in an ultrafast triatomic slingshot

AJ Howard, M Britton, ZL Streeter, C Cheng… - Communications …, 2023‏ - nature.com
Filming atomic motion within molecules is an active pursuit of molecular physics and
quantum chemistry. A promising method is laser-induced Coulomb Explosion Imaging (CEI) …

Nonsequential and Sequential Fragmentation of in Intense Laser Fields

C Wu, C Wu, D Song, H Su, Y Yang, Z Wu, X Liu, H Liu… - Physical review …, 2013‏ - APS
We experimentally studied the three-body fragmentation dynamics of CO 2 initiated by
intense femtosecond laser pulses. Sequential and nonsequential fragmentations were …

[HTML][HTML] Exact factorization adventures: A promising approach for non-bound states

E Villaseco Arribas, F Agostini, NT Maitra - Molecules, 2022‏ - mdpi.com
Modeling the dynamics of non-bound states in molecules requires an accurate description of
how electronic motion affects nuclear motion and vice-versa. The exact factorization (XF) …