scholarly journals Cálculo de niveles de energía con los potenciales de Lennard-Jones, Coseno Hiperbólico y Morse utilizando el método matricial y de emparejamiento

2020 ◽  
Vol 8 (1) ◽  
pp. 31-43
Author(s):  
Fernando Andino ◽  
Michael Spilsbury ◽  
Marco Reyes ◽  
Alejandro Galo
Keyword(s):  

Este trabajo representa un ejercicio académico en el que se comparan dos métodos numéricos; el método matricial y de emparejamiento para la solución de la ecuación unidimensional de Schrödinger con los potenciales de Lennard-Jones, coseno hiperbólico y de Morse. Con ambos métodos, se obtuvieron los niveles de energía y las funciones de onda asociadas con un error bajo, esto comparando las energías calculadas numéricamente con las del potencial coseno hiperbólico las cuales se conocen de forma analítica.

1998 ◽  
Vol 77 (2) ◽  
pp. 473-484 ◽  
Author(s):  
M. Sampoli, P. Benassi, R. Dell'Anna,

2014 ◽  
Vol 59 (2) ◽  
pp. 172-178 ◽  
Author(s):  
Ushcats M.V. Ushcats M.V. ◽  

1980 ◽  
Vol 45 (4) ◽  
pp. 977-983 ◽  
Author(s):  
Jan Sýs ◽  
Anatol Malijevský

An empirical equation of state was proposed, which is based on pseudoexperimental data on the state behaviour. The equation can be used at reduced temperatures from the range 0.7-100.0 and reduced densities up to 2. Calculated compressibility factors and critical properties agree well with available literature data.


Author(s):  
Toshihiro Kaneko ◽  
Kenji Yasuoka ◽  
Ayori Mitsutake ◽  
Xiao Cheng Zeng

Multicanonical molecular dynamics simulations are applied, for the first time, to study the liquid-solid and solid-solid transitions in Lennard-Jones (LJ) clusters. The transition temperatures are estimated based on the peak position in the heat capacity versus temperature curve. For LJ31, LJ58 and LJ98, our results on the solid-solid transition temperature are in good agreement with previous ones. For LJ309, the predicted liquid-solid transition temperature is also in agreement with previous result.


1998 ◽  
Vol 224 (1) ◽  
pp. 86-88 ◽  
Author(s):  
V.A Shneidman ◽  
D.R Uhlmann
Keyword(s):  

2020 ◽  
Vol 102 (6) ◽  
Author(s):  
I. Sanchez-Burgos ◽  
P. Montero de Hijes ◽  
P. Rosales-Pelaez ◽  
C. Vega ◽  
E. Sanz
Keyword(s):  

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