Related papers: Wavefunctions for large systems as basis for elect…
Plasma walls accumulate electrons more efficiently than ions leading to wall potentials which are negative with respect to the plasma potential. Theoretically, walls are usually treated as perfect absorber for electrons and ions implying…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
We construct model wavefunctions for the collective modes of fractional quantum Hall systems. The wavefunctions are expressed in terms of symmetric polynomials characterized by a root partition and a "squeezed" basis, and show excellent…
A wavefunction for single- and many-photon states is defined by associating photons with different momenta to different spectral and polarization components of the classical, generally complex, electromagnetic field that propagates in a…
A method for calculating the Kohn--Sham exchange-correlation potential, $v_\text{XC}(\mathbf{r})$, from a given electronic wavefunction is devised and implemented. It requires on input one- and two-electron density matrices and involves…
An eikonal expansion is used to provide systematic corrections to the eikonal approximation through order $1/k^2$, where $k$ is the wave number. Electron wave functions are obtained for the Dirac equation with a Coulomb potential. They are…
Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…
Almost a century after the development of quantum mechanics, we still do not have a consensus on the process of collapse of wavefunctions. Some theories require the intervention of a conscious observer while some see it as a stochastic…
Construction of the wave functions of multiquark hadrons by traditional method based on tensor products of colors, flavors, spins (and orbital) parts becomes quite complex when quark numbers grow $n=5,6...12$, as it gets difficult to…
Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…
An efficient mixed deterministic/sparse-stochastic plane-wave approach is developed for bandstructure calculations of large supercell periodic generalized-Kohn-Sham density functional theory, for any hybrid-exchange density functional. The…
We study the interaction of electrons with phonons in strongly correlated solids, having high-T_c cuprates in mind. Using sum-rules, we show that the apparent strength of this interaction strongly depends on the property studied. If the…
A generating coordinate is introduced into the exchange-correlation functional of density-functional theory (DFT). The many-body wave function is represented as a superposition of Kohn-Sham (KS) Slater determinants arising from different…
Self-consistent approaches in many-electron problems typically converge to an unphysical solution in strongly correlated regimes. By deriving the mathematical condition for the stability of the physical solution, we unveil the precise…
We introduce a variational wave-function to study the polaron formation when the electronic transfer integral depends on the relative displacement between nearest-neighbor sites giving rise to a non-local electron-phonon coupling with…
Complete analysis of quantum wave functions of linear systems in an arbitrary number of dimensions is given. It is shown how one can construct a complete set of stationary quantum states of an arbitrary linear system from purely classical…
An eikonal expansion is developed in order to provide systematic corrections to the eikonal approximation through order 1/k^2, where k is the wave number. The expansion is applied to wave functions for the Klein-Gordon equation and for the…
We describe the software package SPEX, which allows first-principles calculations of quasiparticle and collective electronic excitations in solids using techniques from many-body perturbation theory. The implementation is based on the…
A variational approach is developed for bound state calculations in three- and four-electron atomic systems. This approach can be applied to determine, in principle, an arbitrary bound state in three- and four-electron ions and atoms. Our…
Variation principle has been developed to calculate many-particle effects in crystals. Within the framework of quasi-particle concept the variation principle has been used to find one-electron states with taking into account of effects due…