Constantino Utreras | UNiversidad Austral de Chile, Valdivia (original) (raw)
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Papers by Constantino Utreras
Physical Review Letters, 1984
Computers & Chemistry, 1995
Pergamon 00978485(94)000425 Computers Clwm. Vol. 19. No. I. pp. 3943. 1995 Copyright 1995 Eisevie... more Pergamon 00978485(94)000425 Computers Clwm. Vol. 19. No. I. pp. 3943. 1995 Copyright 1995 Eisevier Science Ltd Printed in Great Britain. All rights reserved 009784S5 95 9.50+0.00 A VARIATIONALNUMERICAL METHOD TO SOLVE THE ONEDIMENSIONAL WAVE ...
Spectrochimica Acta Part A: Molecular Spectroscopy, 1991
Two numerical methods are used to solve the time independent SchrGdinger equation for the torsion... more Two numerical methods are used to solve the time independent SchrGdinger equation for the torsional potential functions for HONO and HSSH. High accuracy energy levels are obtained with a relatively low computational cost. Theoretical results are compared with the experimental data and different aspects of the dynamic of internal rotation are discussed.
Physics Letters B, 1981
A generalization of the canonical commutation relations of quantum mechanics is proposed, which s... more A generalization of the canonical commutation relations of quantum mechanics is proposed, which should be important at high energies. A new (high energy) uncertainly principle is obtained, as well as some results that may be connected with quark physics.
American Journal of Physics, 1988
Physical Review B, 2002
Current magnification is studied for a system of two rings with external magnetic flux; we have c... more Current magnification is studied for a system of two rings with external magnetic flux; we have considered, in addition to self-inductance, a mutual inductance between the rings. The system is studied using a method recently proposed by Li and Chen, which takes into account the charge quantization of the system, allowing for a simplified description. We find that, for some
Physica B: Condensed Matter, 2015
ABSTRACT
Physical Review B, 1987
The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approa... more The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approach. The analysis of the asymptotic solutions shows that the electronic density n(x) approaches its bulk value n0 in the metal interior exponentially, oscillating about it. This behavior is found to be an effect of the von Weizsäcker term, rather than of the exchange-correlation interaction, as
Physical Review B, 1989
ABSTRACT
In this article we discuss a procedure to solve the one dimensional (1D) Schrödinger Equation for... more In this article we discuss a procedure to solve the one dimensional (1D) Schrödinger Equation for a periodic potential, which may be well suited to teach band structure theory. The procedure is conceptually very simple, so that it may be used to teach band theory at the undergraduate level; at the same time the point of view is practical, so that the students may experiment computing band gaps, and other features of band structure. Another advantage of the procedure lies in that it does not use specific symmetry properties of the potential, so that the results are generally valid.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 1997
A numerical method based on a variational procedure, which allows the one-dimensional Schrrdinger... more A numerical method based on a variational procedure, which allows the one-dimensional Schrrdinger equation to be solved for an arbitrary potential energy function user-defined at selected mesh points, is used to construct an empirical one-dimensional vibrational potential for the double-well umbrella inversion problem in NH 3 and its isotopically substituted molecules. The empirical potential is constructed by matching the calculated transitions to the data provided by the experimental vibrational level pattern.
physica status solidi (b), 1995
ABSTRACT
physica status solidi (b), 1993
A study of the effect of fourth-order gradient corrections to the kinetic energy functional T,[n]... more A study of the effect of fourth-order gradient corrections to the kinetic energy functional T,[n] on the ground state properties of metallic surfaces is presented. Two variational approximations are used; they are inspired by a method proposed by Levy et al. and show interesting properties. The exact numerical solution of the Euler equation is also obtained, and the relative merits of all the calculations are compared.
Physical Review B, 1987
The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approa... more The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approach. The analysis of the asymptotic solutions shows that the electronic density n(x) approaches its bulk value n0 in the metal interior exponentially, oscillating about it. This behavior is found to be an effect of the von Weizsäcker term, rather than of the exchange-correlation interaction, as
Physical Review Letters, 1984
Computers & Chemistry, 1995
Pergamon 00978485(94)000425 Computers Clwm. Vol. 19. No. I. pp. 3943. 1995 Copyright 1995 Eisevie... more Pergamon 00978485(94)000425 Computers Clwm. Vol. 19. No. I. pp. 3943. 1995 Copyright 1995 Eisevier Science Ltd Printed in Great Britain. All rights reserved 009784S5 95 9.50+0.00 A VARIATIONALNUMERICAL METHOD TO SOLVE THE ONEDIMENSIONAL WAVE ...
Spectrochimica Acta Part A: Molecular Spectroscopy, 1991
Two numerical methods are used to solve the time independent SchrGdinger equation for the torsion... more Two numerical methods are used to solve the time independent SchrGdinger equation for the torsional potential functions for HONO and HSSH. High accuracy energy levels are obtained with a relatively low computational cost. Theoretical results are compared with the experimental data and different aspects of the dynamic of internal rotation are discussed.
Physics Letters B, 1981
A generalization of the canonical commutation relations of quantum mechanics is proposed, which s... more A generalization of the canonical commutation relations of quantum mechanics is proposed, which should be important at high energies. A new (high energy) uncertainly principle is obtained, as well as some results that may be connected with quark physics.
American Journal of Physics, 1988
Physical Review B, 2002
Current magnification is studied for a system of two rings with external magnetic flux; we have c... more Current magnification is studied for a system of two rings with external magnetic flux; we have considered, in addition to self-inductance, a mutual inductance between the rings. The system is studied using a method recently proposed by Li and Chen, which takes into account the charge quantization of the system, allowing for a simplified description. We find that, for some
Physica B: Condensed Matter, 2015
ABSTRACT
Physical Review B, 1987
The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approa... more The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approach. The analysis of the asymptotic solutions shows that the electronic density n(x) approaches its bulk value n0 in the metal interior exponentially, oscillating about it. This behavior is found to be an effect of the von Weizsäcker term, rather than of the exchange-correlation interaction, as
Physical Review B, 1989
ABSTRACT
In this article we discuss a procedure to solve the one dimensional (1D) Schrödinger Equation for... more In this article we discuss a procedure to solve the one dimensional (1D) Schrödinger Equation for a periodic potential, which may be well suited to teach band structure theory. The procedure is conceptually very simple, so that it may be used to teach band theory at the undergraduate level; at the same time the point of view is practical, so that the students may experiment computing band gaps, and other features of band structure. Another advantage of the procedure lies in that it does not use specific symmetry properties of the potential, so that the results are generally valid.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 1997
A numerical method based on a variational procedure, which allows the one-dimensional Schrrdinger... more A numerical method based on a variational procedure, which allows the one-dimensional Schrrdinger equation to be solved for an arbitrary potential energy function user-defined at selected mesh points, is used to construct an empirical one-dimensional vibrational potential for the double-well umbrella inversion problem in NH 3 and its isotopically substituted molecules. The empirical potential is constructed by matching the calculated transitions to the data provided by the experimental vibrational level pattern.
physica status solidi (b), 1995
ABSTRACT
physica status solidi (b), 1993
A study of the effect of fourth-order gradient corrections to the kinetic energy functional T,[n]... more A study of the effect of fourth-order gradient corrections to the kinetic energy functional T,[n] on the ground state properties of metallic surfaces is presented. Two variational approximations are used; they are inspired by a method proposed by Levy et al. and show interesting properties. The exact numerical solution of the Euler equation is also obtained, and the relative merits of all the calculations are compared.
Physical Review B, 1987
The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approa... more The problem of a metallic surface is studied and solved in the Thomas-Fermi-von Weizsäcker approach. The analysis of the asymptotic solutions shows that the electronic density n(x) approaches its bulk value n0 in the metal interior exponentially, oscillating about it. This behavior is found to be an effect of the von Weizsäcker term, rather than of the exchange-correlation interaction, as