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We summarize our recently proposed approach to quantum field theory on noncommutative curved spacetimes. We make use of the Drinfel'd twist deformed differential geometry of Julius Wess and his group in order to define an action functional…
Within the framework of density functional perturbation theory (DFPT), we implement and test a novel "metric wave" response-function approach. It consists in the reformulation of an acoustic phonon perturbation in the curvilinear frame that…
Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…
Over recent years, a lot of progress has been achieved in understanding of the relationship between localization and transport of energy in essentially nonlinear oscillatory systems. In this paper we are going to demonstrate that the…
Accurately treating electron correlation in the wavefunction is a key challenge for both classical and quantum computational chemistry. Classical methods have been developed which explicitly account for this correlation by incorporating…
The bosonic strictly isospectral problem for Demkov-Ostrovsky (DO) effective potentials in the radially nodeless sector is first solved in the supersymmetric Darboux-Witten (DW) half line (or l-changing) procedure. As an application, for…
Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus particle number is a series of linear segments between…
The coupled-channel technique augments a non-relativistic distorted wave born approximation scattering calculation to include a coupling to virtual states from the negative energy region. It has been found to be important in low energy…
An explicit expression in terms of canonical variables is obtained for the Hamiltonian functional determining the fully nonlinear dynamics of two-dimensional potential flows of an ideal fluid with a free surface over an arbitrary nonuniform…
We have constructed a perturbation theory to treat interactions that can include the Coulomb interaction, describing a physical problem that is often encountered in nuclear physics. The Coulomb part is not treated perturbatively; the exact…
Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…
We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…
An exact method for direct calculation of the Jost functions and Jost solutions for non-central potentials which couple partial waves of different angular momenta is presented. A combination of the variable-constant method with the complex…
As part of a project to obtain better optical response functions for nano materials and other systems with strong excitonic effects we here calculate the exchange-correlation (XC) potential of density-functional theory (DFT) at a level of…
The recent factorization scheme that we introduced for nonlinear polynomial ODEs in math-ph/0401040 is applied to the interesting case of damped wave equations with cubic nonlinearities. Traveling kink solutions are possible in the plane…
This paper is concerned with a numerical solution to the scattering of a time-harmonic electromagnetic wave by a bounded and impenetrable obstacle in three dimensions. The electromagnetic wave propagation is modeled by a boundary value…
Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…
This paper presents an analytical formulation for correcting the diffraction associated to the second harmonic of an acoustic wave, more compact than that usually used. This new formulation, resulting from an approximation of the correction…
In this paper we study a Cauchy problem for the nonlinear damped wave equations for a general positive operator with discrete spectrum. We derive the exponential in time decay of solutions to the linear problem with decay rate depending on…
This paper presents a fully discrete numerical scheme for one-dimensional nonlocal wave equations and provides a rigorous theoretical analysis. To facilitate the spatial discretization, we introduce an auxiliary variable analogous to the…