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In this thesis, we develop WKB techniques for the finite difference Schrodinger equation, following the construction of the WKB approach for the standard differential Schrodinger equation. In particular, we will develop an all-order WKB…

Mathematical Physics · Physics 2024-10-23 Salvatore Baldino

Maximally-localized Wannier functions are quantum wavefunctions resembling atomic orbitals that are used to describe electrons in condensed matter. Since their introduction in 1997, these functions have become ubiquitous in ab initio…

Computational Physics · Physics 2026-04-09 Sabyasachi Tiwari , Bruno Cucco , Viet-Anh Ha , Feliciano Giustino

We present a new convergent iterative solution for the two lowest quantum wave functions $\psi_{ev}$ and $\psi_{od}$ of the Hamiltonian with a quartic double well potential $V$ in one dimension. By starting from a trial function, which is…

Quantum Physics · Physics 2009-11-07 R. Friedberg , T. D. Lee , W. Q. Zhao , A. Cimenser

An $\hbar$-expansion is presented for the ensemble-averaged spectral function of noninteracting matter waves in random potentials. We obtain the leading quantum corrections to the deep classical limit at high energies by the Wigner-Weyl…

Quantum Gases · Physics 2015-06-01 Martin-Isbjörn Trappe , Dominique Delande , Cord A. Müller

The interaction of qubits with quantized modes of electromagnetic fields has been largely addressed in the quantum optics literature under the rotating wave approximation (RWA), where rapid oscillating terms in the qubit-mode interaction…

Quantum Physics · Physics 2017-06-06 P. C. Cárdenas , W. S. Teixeira , F. L. Semião

We outline a remarkably efficient method for generating solutions to quantum anharmonic oscillators with an x^{2M} potential. We solve the Schroedinger equation in terms of a free parameter which is then tuned to give the correct boundary…

Quantum Physics · Physics 2008-11-26 David Leonard , Paul Mansfield

The minimum of the Gutzwiller energy functional depends on the number of parameters considered in the variational state. For a three-orbital Hubbard model we find that the frequently used diagonal Ansatz is very accurate in high-symmetry…

Strongly Correlated Electrons · Physics 2017-07-19 Jörg Bünemann , Thorben Linneweber , Florian Gebhard

We introduce a numerical method for the approximation of functions which are analytic on compact intervals, except at the endpoints. This method is based on variable transforms using particular parametrized exponential and…

Numerical Analysis · Mathematics 2016-09-06 Ben Adcock , Jésus Martín-Vaquero , Mark Richardson

We study the accuracy of several alternative semiclassical methods by computing analytically the energy levels for many large classes of exactly solvable shape invariant potentials. For these potentials, the ground state energies computed…

Quantum Physics · Physics 2009-09-01 Marina Hruska , Wai-Yee Keung , Uday Sukhatme

A Bohr-Sommerfeld quantization rule is generalized for the case of the deformed commutation relation leading to minimal uncertainties in both coordinate and momentum operators. The correctness of the rule is verified by comparing obtained…

Quantum Physics · Physics 2009-11-13 T. V. Fityo , I. O. Vakarchuk , V. M. Tkachuk

We present a simple method to deal with caustics in the semiclassical approximation to the partition function of a one-dimensional quantum system. The procedure, which makes use of complex trajectories, is applied to the quartic double-well…

Statistical Mechanics · Physics 2007-05-23 C. A. A. de Carvalho , R. M. Cavalcanti , E. S. Fraga , S. E. Joras

We present a variational study of employing the trigonometric basis functions satisfying periodic boundary condition for the accurate calculation of eigenvalues and eigenfunctions of quartic double-well oscillators. Contrary to usual…

Mathematical Physics · Physics 2013-08-06 P. Pedram , M. Mirzaei , S. S. Gousheh

We propose an analytical approach for computing the eigenspectrum and corresponding eigenstates of a hyperbolic double well potential of arbitrary height or width, which goes beyond the usual techniques applied to quasi-exactly solvable…

Quantum Physics · Physics 2021-01-01 D. Kufel , H. Chomet , C. Figueira de Morisson Faria

We give an example of a mathematical model describing quantum mechanical processes interacting with medium. As a model, we consider the process of heat scattering of a wave function defined on the phase space. We consider the case when the…

Mathematical Physics · Physics 2016-03-22 E. M. Beniaminov

In this letter we present band gaps of II-VI semiconductors, calculated by the full potential linearized augmented plane wave (FP-LAPW) method with the modified Becke-Johnson (mBJ) potential. The accuracy of the calculated results is…

Strongly Correlated Electrons · Physics 2012-01-05 Imad Khan , Iftikhar Ahmad , H. A. Rahnamaye Aliabad , M. Maqbool

We consider in detail the quantum-mechanical problem associated with the motion of a one-dimensional particle under the action of the double-well potential. Our main tool will be the euclidean (imaginary time) version of the path-integral…

Quantum Physics · Physics 2015-06-26 J. Casahorran

The WKB approximation for deformed space with minimal length is considered. The Bohr-Sommerfeld quantization rule is obtained. A new interesting feature in presence of deformation is that the WKB approximation is valid for intermediate…

Quantum Physics · Physics 2009-11-11 T. V. Fityo , I. O. Vakarchuk , V. M. Tkachuk

This paper is concerned with the efficient numerical treatment of 1D stationary Schr\"odinger equations in the semi-classical limit when including a turning point of first order. For the considered scattering problems we show that the wave…

Numerical Analysis · Mathematics 2019-11-19 Anton Arnold , Kirian Döpfner

We present a comprehensive study of semiclassical phase-space propagation in the Wigner representation, emphasizing numerical applications, in particular as an initial-value representation. Two semiclassical approximation schemes are…

Chemical Physics · Physics 2010-07-01 Thomas Dittrich , Edgar A. Gomez , Leonardo A. Pachon

Thanks to an algebraic duality property of reduced states, the Schmidt best approximation theorems have important corollaries in the rigorous theory of two-electron moleculae. In turn, the "harmonium mode" or "Moshinsky atom" constitutes a…

Chemical Physics · Physics 2012-06-01 Kurusch Ebrahimi-Fard , Jose M. Gracia-Bondia