Quantum-Mechanical QSAR/QSPR Descriptors from Momentum-Space Wave Functions

2003 ◽  
Vol 43 (2) ◽  
pp. 545-553 ◽  
Author(s):  
Errol F. McCoy ◽  
Matthew J. Sykes
1973 ◽  
Vol 245 (144) ◽  
pp. 65-68 ◽  
Author(s):  
S. T. HOOD ◽  
E. WEIGOLD ◽  
I. E. McCARTHY ◽  
P. J. O. TEUBNER

1953 ◽  
Vol 90 (5) ◽  
pp. 983-986 ◽  
Author(s):  
E. E. Salpeter ◽  
J. S. Goldstein

1994 ◽  
Vol 100 (10) ◽  
pp. 7476-7480 ◽  
Author(s):  
Joachim J. Wl/odarz

2021 ◽  
Vol 36 (10) ◽  
pp. 2150065
Author(s):  
Aarti Sharma ◽  
Pooja Thakur ◽  
Girish Kumar ◽  
Anil Kumar

The information theoretic concepts are crucial to study the quantum mechanical systems. In this paper, the information densities of [Formula: see text]-symmetric potential have been demonstrated and their properties deeply analyzed. The position space and momentum space information entropy is obtained and Bialynicki-Birula–Mycielski inequality is saturated for different parameters of the potential. Some interesting features of information entropy have been discussed. The variation in these entropies is described which gets saturated for specific values of the parameter. These have also been analyzed for the [Formula: see text]-symmetry breaking case. Further, the entropy squeezing phenomenon has been investigated in position space as well as momentum space. Interestingly, [Formula: see text] phase transition conjectures the entropy squeezing in position space and momentum space.


2018 ◽  
Vol 3 (1) ◽  
pp. 03-09 ◽  
Author(s):  
Hitler Louis ◽  
Ita B. Iserom ◽  
Ozioma U. Akakuru ◽  
Nelson A. Nzeata-Ibe ◽  
Alexander I. Ikeuba ◽  
...  

An exact analytical and approximate solution of the relativistic and non-relativistic wave equations for central potentials has attracted enormous interest in recent years. By using the basic Nikiforov-Uvarov quantum mechanical concepts and formalism, the energy eigenvalue equations and the corresponding wave functions of the Klein–Gordon and Schrodinger equations with the interaction of Modified Hylleraas-Hulthen Potentials (MHHP) were obtained using the conventional Pekeris-type approximation scheme to the orbital centrifugal term. The corresponding unnormalized eigen functions are evaluated in terms of Jacobi polynomials.


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