The theory of two-electron atoms: between ground state and complete fragmentation
Since the first attempts to calculate the helium ground state in the early days of Bohr-
Sommerfeld quantization, two-electron atoms have posed a series of unexpected …
Sommerfeld quantization, two-electron atoms have posed a series of unexpected …
Adiabatic and quasidiabatic states in a gauge theoretical framework
Adiabatic and quasidiabatic states in a gauge theoretical framework Page 299 ADIABATIC
AND QUASIDIABATIC STATES IN A GAUGE THEORETICAL FRAMEWORK T. PACHER, L …
AND QUASIDIABATIC STATES IN A GAUGE THEORETICAL FRAMEWORK T. PACHER, L …
Observation of a transition state resonance in the integral cross section of the reaction
We have studied the reaction F+ HD at low collision energies using a combination of
experimental and theoretical methods. Clear evidence for a reactive resonance is found in …
experimental and theoretical methods. Clear evidence for a reactive resonance is found in …
A transition state theory‐based statistical distribution of unimolecular decay rates with application to unimolecular decomposition of formaldehyde
A statistical distribution of state‐specific unimolecular decay rates is derived (within the
framework of random matrix theory) that is determined completely by the transition state …
framework of random matrix theory) that is determined completely by the transition state …
The wave packet motion and intramolecular vibrational redistribution in CHX3 molecules under infrared multiphoton excitation
R Marquardt, M Quack - The Journal of chemical physics, 1991 - pubs.aip.org
We report results from quantum dynamical simulations of ultrafast vibrational redistribution
processes in the CH chromophore of CHX3 molecules (CHD3, CHF3) during and after …
processes in the CH chromophore of CHX3 molecules (CHD3, CHF3) during and after …
Quantal wavepacket calculations of reactive scattering
V Mohan, N Sathyamurthy - Computer Physics Reports, 1988 - Elsevier
There has been a renewed interest in the time-dependent quantum mechanical approach to
reactive scattering in the last few years. Many of the bottlenecks in numerically solving the …
reactive scattering in the last few years. Many of the bottlenecks in numerically solving the …
Mechanism of state-selective vibrational excitation by an infrared picosecond laser pulse studied by two techniques: fast Fourier transform propagation of a molecular …
W Jakubetz, B Just, J Manz… - Journal of Physical …, 1990 - ACS Publications
Conclusions The vapor-phase absorption spectrum of formic acid which arises from an-* ir*
electron promotion consists of a complex of bands that are built onto the side of a strong …
electron promotion consists of a complex of bands that are built onto the side of a strong …
Excitation of molecules with ultrashort laser pulses: exact time-dependent quantum calculations
V Engel - Computer physics communications, 1991 - Elsevier
Excitation processes with ultrashort laser pulses are described within a time-dependent,
quantum mechanical approach. First-order perturbation theory is employed. The …
quantum mechanical approach. First-order perturbation theory is employed. The …
Quantum Dynamics of Oblique Vibrational States in the Hénon–Heiles System
In this paper, we study the quantum time evolution of oblique nonstationary vibrational states
in a Hénon–Heiles oscillator system with two dissociation channels, which models the …
in a Hénon–Heiles oscillator system with two dissociation channels, which models the …
Mode selective control of unimolecular dissociations: Survey, and model simulations for HDO→ H+ DO, D+ HO
B Hartke, J Manz, J Mathis - Chemical physics, 1989 - Elsevier
A survey of mode selective bond fissions, decay rates and vibrational structures in
unimolecular dissociations is followed by model simulations of dissociative HDO resonance …
unimolecular dissociations is followed by model simulations of dissociative HDO resonance …