Related papers: Marching toward the eigenvalues: The Canonical Fun…
Quantum Monte Carlo (QMC) methods have received considerable attention over the last decades due to their great promise for providing a direct solution to the many-body Schrodinger equation in electronic systems. Thanks to their low scaling…
The exact factorization (EF) approach to coupled electron-ion dynamics recasts the time-dependent molecular Schr\"odinger equation as two coupled equations, one for the nuclear wavefunction and one for the conditional electronic…
Quantum algorithms are able to solve particular problems exponentially faster than conventional algorithms, when implemented on a quantum computer. However, all demonstrations to date have required already knowing the answer to construct…
We present a new six-parameter family of potentials whose solutions are expressed in terms of the hypergeometric functions 3F2, 2F2 and 1F2. Both the scattering data and the bound states of these potentials are explicitly computed and the…
A method to compute the bound state eigenvalues and eigenfunctions of a Schr\"{o}dinger equation or a spinless Salpeter equation with central interaction is presented. This method is the generalization to the three-dimensional case of the…
The representation of a Schrodinger equations as a classic Hamiltonian system allows to construct a unified perturbation theory both in classic, and in a quantum mechanics grounded on the theory of canonical transformations, and also to…
The canonical tensor model (CTM) is a rank-three tensor model formulated as a totally constrained system in the canonical formalism. The constraint algebra of CTM has a similar structure as that of the ADM formalism of general relativity,…
We present a new math-physics modeling approach, called canonical quantization with numerical mode-decomposition, for capturing the physics of how incoming photons interact with finite-sized dispersive media, which is not describable by the…
Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…
In a previous article we have shown how one can employ Artificial Neural Networks (ANNs) in order to solve non-homogeneous ordinary and partial differential equations. In the present work we consider the solution of eigenvalue problems for…
Discriminative Canonical Correlation Analysis (DCCA) is a powerful supervised feature extraction technique for two sets of multivariate data, which has wide applications in pattern recognition. DCCA consists of two parts: (i) mean-centering…
A powerful method for calculating the eigenvalues of a Hamiltonian operator consists of converting the energy eigenvalue equation into a matrix equation by means of an appropriate basis set of functions. The convergence of the method can be…
We review the so-called Nikiforov-Uvarov method along with some basic results about classical orthogonal polynomials and hypergeometric functions related to the hypergeometric differential equation. The method is employed to address certain…
The auxiliary-field quantum Monte Carlo (AFQMC) method provides a computational framework for solving the time-independent Schroedinger equation in atoms, molecules, solids, and a variety of model systems. AFQMC has recently witnessed…
While quantum computing provides an exponential advantage in solving system of linear equations, there is little work to solve system of nonlinear equations with quantum computing. We propose quantum Newton's method (QNM) for solving…
A novel method rooted in the classical Schwarz-Christoffel transformation from the disk is introduced, which allows for fast and accurate solution of potential field problems in possibly inhomogeneous and multiply connected domains: this is…
In the paper a new numerical-analytical method for solving the Cauchy problem for systems of ordinary differential equations of special form is presented. The method is based on the idea of the FD-method for solving the operator equations…
We improve the complex scaling method (CSM) to obtain virtual states, which were previously challenging in the conventional CSM. Our approach solves the Schr\"odinger equation in the momentum space as an eigenvalue problem by choosing the…
We consider BF-type topological field theory coupled to non-dynamical particle and string sources on spacetime manifolds of the form $\IR^1\times\MT$, where $\MT$ is a 3-manifold without boundary. Canonical quantization of the theory is…
Classical density functional theory (DFT) of fluids is a valuable tool to analyze inhomogeneous fluids. However, few numerical solution algorithms for three-dimensional systems exist. Here we present an efficient numerical scheme for fluids…