[图书][B] Theory and application of quantum molecular dynamics

JZH Zhang - 1998 - books.google.com
This book provides a detailed presentation of modern quantum theories for treating the
reaction dynamics of small molecular systems. Its main focus is on the recent development …

Selective adsorption resonances: Quantum and stochastic approaches

AS Sanz, S Miret-Artés - Physics reports, 2007 - Elsevier
In this review we cover recent advances in the theory of the selective adsorption
phenomenon that appears in light atom/molecule scattering off solid surfaces. Due to the …

Wave packet dynamics of resonance decay: An iterative equation approach with application to HCO→ H+ CO

SK Gray - The Journal of chemical physics, 1992 - pubs.aip.org
Three‐dimensional solutions to the time‐dependent Schrödinger equation, corresponding to
the decay of resonances in the HCO radical, are studied. Theoretical tools to facilitate such …

Real‐time dynamics of clusters. I. I2Xn (n=1)

DM Willberg, M Gutmann, JJ Breen… - The Journal of chemical …, 1992 - pubs.aip.org
Vibrational predissociation of I2X n (X= Ne, Ar) van der Waals clusters are studied in real‐
time using picosecond pump–probe (LIF) and molecular beam techniques. The state‐to …

Theoretical studies of spin-forbidden radiationless decay in polyatomic systems: insights from recently developed computational methods

DR Yarkony - Journal of the American Chemical Society, 1992 - ACS Publications
We consider spin-forbidden radiationless decay of a bound electronic state which is
metastable owing to a crossing with a dissociative potential energy surface of different spin …

Ar··· I 2: A model system for complex dynamics

A Buchachenko, N Halberstadt, B Lepetit… - … Reviews in Physical …, 2003 - Taylor & Francis
We review spectroscopic and photodissociation dynamical studies in the region of the BLX
transition of the Ar··· I 2 van der Waals complex, both below and above the dissociation limit …

A time‐dependent approach to flux calculation in molecular photofragmentation: Vibrational predissociation of HF–DF

DH Zhang, Q Wu, JZH Zhang - The Journal of chemical physics, 1995 - pubs.aip.org
We present in this paper a time‐dependent approach to the calculation of
photofragmentation dynamics using the flux formulation. The method is essentially a time …

Quasiclassical dynamics of the I2–Ne2 vibrational predissociation: A comparison with experiment

A García‐Vela, J Rubayo‐Soneira… - The Journal of …, 1996 - pubs.aip.org
The vibrational predissociation dynamics of the I2 (B, v)–Ne2 complex is investigated for
several vibrational levels of I2, using a quasiclassical trajectory approach. The time …

Structure and dynamics of noble gas-halogen and noble gas ionic clusters: when theory meets experiment

JA Beswick, N Halberstadt, KC Janda - Chemical Physics, 2012 - Elsevier
As part of this special issue in honor of Gerardo Delgado Barrio, we have reviewed the
interplay between experimental and theoretical work on halogen and interhalogen diatomic …

A three‐dimensional wave packet study of Ar⋅⋅⋅ I2 (B)→ Ar+ I+ I electronic predissociation

O Roncero, N Halberstadt, JA Beswick - The Journal of chemical …, 1996 - pubs.aip.org
One of the current goals in the field of chemical physics is to understand the role of weak
intermolecular forces solvation bonds in chemical reactivity and relaxation. In this context …