Related papers: Self Consistent Field Theory of Virus Assembly
The soft bootstrap is an on-shell method to constrain the landscape of effective field theories (EFTs) of massless particles via the consistency of the low-energy S-matrix. Given assumptions on the on-shell data (particle spectra, linear…
Reliable and robust convergence to the electronic ground state within density functional theory (DFT) Kohn-Sham (KS) calculations remains a thorny issue in many systems of interest. In such cases, charge sloshing can delay or completely…
We propose a self-consistent scheme for the determination of the ground-state (GS) properties of interacting electrons in a magnetic field, and of systems whose GS's time-reversal-symmetry (TRS) is spontaneously broken. It is based on a…
We provide novel random surface density functional theory (RSDFT) formulation in the case of geometric heterogeneous surface of solid media which is essential for description of thermodynamic properties of confined fluids. The major…
Our general interest is in self-consistent-field (scf) theories of disordered fermions. They generate physically relevant sub-ensembles ("scf-ensembles") within a given Altland-Zirnbauer class. We are motivated to investigate such ensembles…
We established a new power counting scheme, chiral-scale density counting (CSDC) rules, for the application of the chiral-scale effective field theory to nuclear matter at finite densities and temperatures. Within this framework, the free…
Constrained density functional theory (CDFT) is used to evaluate the energy level alignment of a benzene molecule as it approaches a graphene sheet. Within CDFT the problem is conveniently mapped onto evaluating total energy differences…
In nuclear physics, Density Functional Theory (DFT) provides the basis for state-of-the art studies of ground-state properties of heavy nuclei. However, the direct relation of the density functional underlying these calculations and the…
To extend the applicability of density functional theory for superconductors (SCDFT) to systems with significant particle-hole asymmetry, we construct a new exchange-correlation kernel entering the gap equation. We show that the kernel is…
We begin by briefly surveying some results on the convergence of the Stochastic Gradient Descent (SGD) Method, proved in a companion paper by the present authors. These results are based on viewing SGD as a version of Stochastic…
The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the spin-orbit coupling interaction. Even in the absence of a spin…
Widely employed Near-Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy probes a system by excitation of core electrons to unoccupied states. A variety of different methodologies are available to simulate corresponding spectra from…
Based on a functional-integral formalism, a generalization of the self-energy-functional theory (SFT) is proposed which is applicable to systems of interacting electrons with disorder. Similar to the pure case without disorder, a…
Conformal field theory (CFT) has been extremely successful in describing large-scale universal effects in one-dimensional (1D) systems at quantum critical points. Unfortunately, its applicability in condensed matter physics has been limited…
We introduce a mesoscale technique for simulating the structure and rheology of block copolymer melts and blends in hydrodynamic flows. The technique couples dynamic self consistent field theory (DSCFT) with continuum hydrodynamics and flow…
We propose a practicable method for describing linear dynamics of different finite Fermi systems. The method is based on a general self-consistent procedure for factorization of the two-body residual interaction. It is relevant for diverse…
We analyze the superconformal theories (SCFTs) which arise in the low-energy limit of N=(4,4) supersymmetric gauge theories in two dimensions, primarily the Higgs branch SCFT. By a direct field theory analysis we find a continuum of…
Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…
The theory of self-consistent effective interactions in nuclei is extended for a system with a velocity dependent mean potential. By means of the field coupling method, we present a general prescription to derive effective interactions…
Spatial multiscale methods have established themselves as useful tools for extending the length scales accessible by conventional statics (i.e., zero temperature molecular dynamics). Recently, extensions of these methods, such as the…