Quantum mechanics of molecular oxygen clusters: rotovibrational dimer dynamics from realistic potential energy surfaces

2002 ◽  
Vol 4 (20) ◽  
pp. 4970-4978 ◽  
Author(s):  
Vincenzo Aquilanti ◽  
Estela Carmona-Novillo ◽  
Fernando Pirani
Keyword(s):  
Quantum Mechanics ◽  
Potential Energy ◽  
Molecular Oxygen ◽  
Potential Energy Surfaces ◽  
Realistic Potential ◽  
Energy Surfaces

Computed rotational rainbows from realistic potential energy surfaces

1985 ◽  
Vol 83 (3) ◽  
pp. 1049-1058 ◽  
Author(s):  
F. A. Gianturco ◽  
A. Palma
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Realistic Potential ◽  
Energy Surfaces

Dimers of the major components of the atmosphere: Realistic potential energy surfaces and quantum mechanical prediction of spectral features

2001 ◽  
Vol 3 (18) ◽  
pp. 3891-3894 ◽  
Author(s):  
V. Aquilanti ◽  
M. Bartolomei ◽  
D. Cappelletti ◽  
E. Carmona-Novillo ◽  
F. Pirani
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Mechanical ◽  
Spectral Features ◽  
Realistic Potential ◽  
Mechanical Prediction ◽  
Energy Surfaces

Non-Hermitian quantum mechanics: Wave packet propagation on autoionizing potential energy surfaces

2004 ◽  
Vol 121 (2) ◽  
pp. 722-725 ◽  
Author(s):  
N. Moiseyev ◽  
S. Scheit ◽  
L. S. Cederbaum
Keyword(s):  
Quantum Mechanics ◽  
Potential Energy ◽  
Wave Packet ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

The functional states of angular quantum numbers and Ne + H2+(ν= 0,j= 2) → NeH++ H reaction mechanism

2018 ◽  
Vol 96 (12) ◽  
pp. 1395-1403 ◽  
Author(s):  
Emine Tanış ◽  
Engin Yılmaz ◽  
Ezman Karabulut
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Legendre Polynomials ◽  
Energy Surface ◽  
Molecular System ◽  
Title Reaction ◽  
Realistic Potential ◽  
Quantum Numbers ◽  
Functional States ◽  
Energy Surfaces

The behaviors of Legendre polynomials representing angular movements are independent of the type of reaction and can be studied in detail paying attention to the changes on effective and centrifugal potentials. For the title reaction, dynamic calculations taking into account the effects of potential energy surfaces have been investigated using the real wave packet method on the most realistic potential energy surface (LZHH) recently obtained. The total electrical dipoles and energies were also calculated in the corresponding quantum states of the molecular system.

Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

2000 ◽  
Vol 98 (7) ◽  
pp. 419-427 ◽  
Author(s):  
E. Czuchaj, M. Krosnicki, H. Stoll
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Theoretical Study ◽  
State Potential ◽  
Energy Surfaces
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