Related papers: Wavefunctions for large electronic systems
The quasiparticle wavefunction of a many-electron system is traditionally defined as the eigenfunction of the quasiparticle eigenvalue equation involving the self-energy. In this article a new concept of a quasiparticle wavefunction is…
Gaining insight into the interaction between flexible piezoelectric structures and ocean waves can inform the development of compact, high-efficiency wave-energy converters that harvest renewable energy from the marine environment. In this…
Calculations of the ground state of inhomogeneous many-electron systems involve a solving of the Poisson equation for Coulomb potential and the Schroedinger equation for single-particle orbitals. Due to nonlinearity and complexity this set…
Despite considerable work on the energy-level and wavefunction statistics of disordered quantum systems, numerical studies of those statistics relevant for electron-electron interactions in mesoscopic systems have been lacking. We plug this…
Under unitary evolution, a typical macroscopic quantum system is thought to develop wavefunction branches: a time-dependent decomposition into orthogonal components that (1) form a tree structure forward in time, (2) are approximate…
Calculations of the leading quantum electrodynamics effects in few electron systems involve singular matrix elements of the inter-electronic distances of the form $1/r_i^3$ and $1/r_{ij}^3$. Integrals that result when the nonrelativistic…
Quantum mechanics has been formulated in phase space, with the Wigner function as the representative of the quantum density operator, and classical mechanics has been formulated in Hilbert space, with the Groenewold operator as the…
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…
Collisionless plasma systems are often studied using fully kinetic simulations, where protons and electrons are treated as particles. Due to their computational expense, it is necessary to reduce the ion-to-electron mass ratio $m_i/m_e$ or…
The inner structure of the {\gamma}{\epsilon}-formalisms of Infeld and van der Waerden admits the occurrence of spin-tensor electromagnetic fields which bear invariance under the action of the generalized Weyl gauge group. A concise…
The Hohenberg-Kohn theorem plays a fundamental role in density functional theory, which has become a basic tool for the study of electronic structure of matter. In this article, we study the Hohenberg-Kohn theorem for a class of external…
We study numerically the geometric entanglement in the Laughlin wave function, which is of great importance in condensed matter physics. The Slater determinant having the largest overlap with the Laughlin wave function is constructed by an…
Let $\{a_n(x)\}_{n\geq1}$ be the sequence of digits of $x\in(0,1)$ in infinite iterated function systems with polynomial decay of the derivative. We first study the multifractal spectrum of the convergence exponent defined by the sequence…
We perform a fully quantum mechanical numerical calculation for the problem of a single electron (or excitation) propagating in a N-site one-dimensional chain in the presence of a single Holstein impurity. We compute the long-time averaged…
The stationary wave functions of fast electrons axially channeling in the silicon crystal near [110] direction have been found numerically for integrable and non-integrable cases, for which the classical motion is regular and chaotic,…
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…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
We reduce Dirac's spinor formalism for a spin 1/2 particle to a complex wavefunction description in curved spacetimes. We consider a localized fermionic particle in curved spacetimes and perform an expansion in terms of the acceleration and…
Effective Hamiltonians are usually constructed by using canonical transformations or projection techniques. In contrast to this, we present a method for systems with arbitrary Hilbert space based on the introduction of cumulants. Cumulants…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…