scholarly journals Charmonium Properties Using the Discrete Variable Representation (DVR) Method

2021 ◽  
Vol 2021 ◽  
pp. 1-7
Author(s):  
Bhaghyesh A.
Keyword(s):  
Numerical Methods ◽  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Hamiltonian Matrix ◽  
Discrete Variable ◽  
Discrete Variable Representation ◽  
Eigenvalues And Eigenfunctions ◽  
Decay Widths ◽  
Variable Representation ◽  
Good Agreement

The Schrödinger equation is solved numerically for charmonium using the discrete variable representation (DVR) method. The Hamiltonian matrix is constructed and diagonalized to obtain the eigenvalues and eigenfunctions. Using these eigenvalues and eigenfunctions, spectra and various decay widths are calculated. The obtained results are in good agreement with other numerical methods and with experiments.

Rovibrational spectroscopic constants of the interaction between ammonia and metallo-phthalocyanines: a theoretical protocol for ammonia sensor design

2017 ◽  
Vol 19 (17) ◽  
pp. 10843-10853 ◽  
Author(s):  
Alan R. Baggio ◽  
Daniel F. S. Machado ◽  
Valter H. Carvalho-Silva ◽  
Leonardo G. Paterno ◽  
Heibbe Cristhian B. de Oliveira
Keyword(s):  
Dft Calculations ◽  
Theoretical Approach ◽  
Schrodinger Equation ◽  
Spectroscopic Constants ◽  
Sensor Design ◽  
Discrete Variable ◽  
Ammonia Sensor ◽  
Discrete Variable Representation ◽  
Representation Method ◽  
Variable Representation

We developed an adapted theoretical approach based on DFT calculations (B3LYP) and the nuclear Schrödinger equation using the Discrete Variable Representation method to model the interaction of ammonia with metallo-phthalocyanines.

scholarly journals Binding energies of quantum dipole in plane

2019 ◽  
Vol 201 ◽  
pp. 09008
Author(s):  
Eugene A. Koval ◽  
Oksana A. Koval
Keyword(s):  
Edge Dislocation ◽  
Bound States ◽  
Binding Energies ◽  
Variational Technique ◽  
Discrete Variable ◽  
Discrete Variable Representation ◽  
Probability Densities ◽  
Variational Approaches ◽  
Variable Representation ◽  
Good Agreement

We propose a numerical algorithm based on a discrete variable representation and shifted inverse iterations and apply it to for the analysis of the bound states of edge dislocation modelled by a quantum dipole in a plane. The good agreement with results of recent papers of Amore et al [J. Phys. B 45, 235004 (2012)] was obtained. The error estimates of the previous results of low-lying states energies of other authors were not known due to limitations of the variational approaches and this paper fills this gap presenting calculated low-lying bound states energies by non-variational technique. The probability densities of low-lying states were calculated.

Imaginary-Time Time-Dependent Density Functional Calculation of Excited States of Atoms Using CWDVR Approach

2021 ◽  
Vol 323 ◽  
pp. 14-20
Author(s):  
Naranchimeg Dagviikhorol ◽  
Munkhsaikhan Gonchigsuren ◽  
Lochin Khenmedekh ◽  
Namsrai Tsogbadrakh ◽  
Ochir Sukh
Keyword(s):  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Discrete Variable ◽  
Coulomb Wave Function ◽  
Discrete Variable Representation ◽  
Density Functional Calculation ◽  
Imaginary Time ◽  
Sham Equation ◽  
Variable Representation

We have calculated the energies of excited states for the He, Li, and Be atoms by the time dependent self-consistent Kohn Sham equation using the Coulomb Wave Function Discrete Variable Representation CWDVR) approach. The CWDVR approach was used the uniform and optimal spatial grid discretization to the solution of the Kohn-Sham equation for the excited states of atoms. Our results suggest that the CWDVR approach is an efficient and precise solutions of excited-state energies of atoms. We have shown that the calculated electronic energies of excited states for the He, Li, and Be atoms agree with the other researcher values.

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