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.

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.

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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