Atomic forces formulation based on the Dirac-Kohn-Sham equation and flexible (APW+lo/LAPW)+LO basis set is presented. The formulation was implemented in the code FlapwMBPT and allows a user to easily switch between different basis functions of the au...
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different linearization ene...
Given an element in a finite-dimensional real vector space, $V$, that is a nonnegative linear combination of basis vectors for some basis $B$, we compute the probability that it is furthermore a nonnegative linear combination of basis vectors for a s...
In this work we present a new basis set for electronic structures (Density Functional Theory (DFT)) calculations. This basis set extends Soler Williams Linearized Augmented Plane Wave (SLAPW) basis sets by allowing variable Muffin Tin (MT) sphere rad...
A Monte Carlo method for quantum spin systems is formulated in the basis of valence bond (singlet pair) states. The non-orthogonality of this basis allows for an efficient importance-sampled projection of the ground state out of an arbitrary state....
The way the basis path set works in neural network remains mysterious, and the generalization of newly appeared G-SGD algorithm to more practical network is hindered. The Basis Path Set Searching problem is formulated from the perspective of graph th...
In this article, we explicitly construct a canonical basis for the space of certain weakly holomorphic Drinfeld modular forms for $Γ_0(T)$ (resp., for $Γ_0^+(T)$) and compute the generating function satisfied by the basis elements. We also give an...
The integration of differential equations of Feynman integrals can be greatly facilitated by using a canonical basis. This paper presents the Mathematica package CANONICA, which implements a recently developed algorithm to automatize the transformati...
In the paper "Infinite product representations for kernels and iterations of functions", the authors associate certain Fatou subsets with reproducing kernel Hilbert spaces. They also present a method for constructing an orthonormal basis for said Hil...
Russia is ready for “serious” peace talks, Vladimir Putin said Thursday, adding that the draft of a plan discussed by the United States and Ukraine could form the basis of a future deal to end the...
Rapid-purification by feedback --- specifically, reducing the mean impurity faster than by measurement alone --- can be achieved by making the eigenbasis of the density matrix to be unbiased relative to the measurement basis. Here we further examine...
On the Basis of Sex is a 2018 American biographical legal drama film based on the life and early cases of Ruth Bader Ginsburg, who was the second woman
We show that the monoid of all injective and extensive partial transformations of a chain with three elements admits no finite basis of its identities. This completes solving of the finite basis problem for the monoids in the basic frame of partial t...
For any finite, real reflection group $W$, we construct a geometric basis for the homology of the corresponding non-crossing partition lattice. We relate this to the basis for the homology of the corresponding intersection lattice introduced by Bj?...
Given an Edwards curve, we determine a basis for the Riemann-Roch space of any divisor whose support does not contain any of the two singular points. This basis allows us to compute a generating matrix for an algebraic-geometric Goppa code over the E...
The Shirley reduced basis (SRB) represents the periodic parts of Bloch functions as linear combi- nations of eigenvectors taken from a coarse sample of the Brillouin zone, orthogonalized and reduced through proper orthogonal decomposition. We describ...
For many infinite-dimensional vector spaces of interest we don't care about describing a basis anyway; they often come with a topology and we can therefore get a lot out of studying dense subspaces, …
We present a generalization of the Li, Nunes and Vanderbilt density-matrix method to the case of a non-orthogonal set of basis functions. A representation of the real-space density matrix is chosen in such a way that only the overlap matrix, and no...