Classical and quantum dynamics of long lived doubly excited vibrational states of triatomic molecules

1983 ◽  
Vol 78 (6) ◽  
pp. 3964-3975 ◽  
Author(s):  
Richard M. Hedges ◽  
William P. Reinhardt
Keyword(s):  
Quantum Dynamics ◽  
Vibrational States ◽  
Triatomic Molecules ◽  
Doubly Excited

Energies and Electric Dipole Moments of the Bound Vibrational States of HN2+ and DN2+

2008 ◽  
Vol 73 (6-7) ◽  
pp. 873-897 ◽  
Author(s):  
Vladimír Špirko ◽  
Ota Bludský ◽  
Wolfgang P. Kraemer
Keyword(s):  
Dipole Moment ◽  
Nearest Neighbor ◽  
Energy Surface ◽  
Dipole Moments ◽  
Three Dimensional ◽  
Vibrational States ◽  
Spacing Distribution ◽  
Triatomic Molecules ◽  
Vibrational Levels ◽  
Different Levels

The adiabatic three-dimensional potential energy surface and the corresponding dipole moment surface describing the ground electronic state of HN2+ (Χ1Σ+) are calculated at different levels of ab initio theory. The calculations cover the entire bound part of the potential up to its lowest dissociation channel including the isomerization barrier. Energies of all bound vibrational and low-lying ro-vibrational levels are determined in a fully variational procedure using the Suttcliffe-Tennyson Hamiltonian for triatomic molecules. They are in close agreement with the available experimental numbers. From the dipole moment function effective dipoles and transition moments are obtained for all the calculated vibrational and ro-vibrational states. Statistical tools such as the density of states or the nearest-neighbor level spacing distribution (NNSD) are applied to describe and analyse general patterns and characteristics of the energy and dipole results calculated for the massively large number of states of the strongly bound HN2+ ion and its deuterated isotopomer.

QUANTUM DYNAMICS OF WAVE PACKET IN HARMONIC POTENTIAL

2005 ◽  
Vol 19 (24) ◽  
pp. 3745-3754
Author(s):  
ZHAN-NING HU ◽  
CHANG SUB KIM
Keyword(s):  
Schrödinger Equation ◽  
Wave Packet ◽  
Quantum Dynamics ◽  
Schrodinger Equation ◽  
Analytic Solution ◽  
Nonlinear Differential Equations ◽  
Time Dependent ◽  
Dimensional System ◽  
Two Dimensional ◽  
Vibrational States

In this paper, the analytic solution of the time-dependent Schrödinger equation is obtained for the wave packet in two-dimensional oscillator potential. The quantum dynamics of the wave packet is investigated based on this analytic solution. To our knowledge, this is the first time we solve, analytically and exactly this kind of time-dependent Schrödinger equation in a two-dimensional system, in which the Gaussian parameters satisfy the coupled nonlinear differential equations. The coherent states and their rotations of the system are discussed in detail. We find also that this analytic solution includes four kinds of modes of the evolutions for the wave packets: rigid, rotational, vibrational states and a combination of the rotation and vibration without spreading.

High resolution study of the six lowest doubly excited vibrational states of PH2D

2005 ◽  
Vol 234 (2) ◽  
pp. 228-237 ◽  
Author(s):  
C. Leroy ◽  
O.N. Ulenikov ◽  
E.S. Bekhtereva ◽  
G.A. Onopenko ◽  
T.D. Chudinova
Keyword(s):  
High Resolution ◽  
Vibrational States ◽  
Doubly Excited ◽  
Resolution Study

Rovibrational quantum dynamics of the vinyl radical and its deuterated isotopologues

2019 ◽  
Vol 21 (7) ◽  
pp. 3453-3472 ◽  
Author(s):  
Jan Šmydke ◽  
Csaba Fábri ◽  
János Sarka ◽  
Attila G. Császár
Keyword(s):  
Quantum Dynamics ◽  
Vibrational States ◽  
Vinyl Radical

Rotational–vibrational states up to 3200 cm−1, beyond the highest-lying stretching fundamental, are computed variationally for the vinyl radical (VR), H2CβCαH, and the following deuterated isotopologues of VR: CH2CD, CHDCH, and CD2CD.

scholarly journals Quantum-dynamics study of the H5+ cluster: Full dimensional benchmark results on its vibrational states

2012 ◽  
Vol 136 (10) ◽  
pp. 104302 ◽  
Author(s):  
Álvaro Valdés ◽  
Rita Prosmiti ◽  
Gerardo Delgado-Barrio
Keyword(s):  
Quantum Dynamics ◽  
Vibrational States
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