Related papers: Computing Correct Truncated Excited State Wavefunc…
The electronic Schr\"odinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wavefunctions, depend on 3N variables, three spatial…
Much work has been devoted to the study of nonstrange baryons belonging to the $[\textbf{70},1^-]$ multiplet in the framework of the $1/N_c$ expansion. Using group theoretical arguments here we examine the relation between the exact wave…
Within a truncated determinant algorithm, two alternatives are discussed for including systematically the remaining ultraviolet modes. Evidence is presented that these modes are accurately described by an effective action involving only…
We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a…
The approximate solution of Bohr-Mottelson Hamiltonian in rigid deformed nucleus case for Hulthen potential with minimal length effect was investigated using Asymptotic Iteration Method. Asymptotic Iteration Method was used to solve…
The paper addresses the construction an error correction code for quantum calculations based on squeezed Fock states. It is shown that the use of squeezed Fock states makes it possible to satisfy the Knill-Laflamme (KL) criteria for bosonic…
Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…
State-specific approximations can provide an accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of…
Recent work from our research group has demonstrated that symmetry-projected Hartree--Fock (HF) methods provide a compact representation of molecular ground state wavefunctions based on a superposition of non-orthogonal Slater determinants.…
We investigate the use of different variational principles in quantum Monte Carlo, namely energy and variance minimization, prompted by the interest in the robust and accurate estimate of electronic excited states. For two prototypical,…
We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order…
The power spectrum is traditionally parameterized by a truncated Taylor series: $ln P(k) = ln P_* + (n_*-1) ln(k/k_*) + {1/2} n'_* ln^2(k/k_*)$. It is reasonable to truncate the Taylor series if $|n'_* ln(k/k_*)| << |n_*-1|$, but it is not…
Hamiltonian truncation is a non-perturbative numerical method for calculating observables of a quantum field theory. The starting point for this method is to truncate the interacting Hamiltonian to a finite-dimensional space of states…
We find convergent double series expansions for Legendre's third incomplete elliptic integral valid in overlapping subdomains of the unit square. Truncated expansions provide asymptotic approximations in the neighbourhood of the logarithmic…
Four problematic circumstances are considered, involving models which describe dynamical wavefunction collapse toward energy eigenstates, for which it is shown that wavefunction collapse of macroscopic objects does not work properly. In one…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
We revisit the power counting of the Higgs Effective Field Theory (HEFT) from first principles, by requiring that predictions for physical observables follow a series expansion in small, dimensionless quantities. Depending on whether HEFT…
Total cross sections for electron capture are calculated for collisions of fast protons and alpha-particles with atomic hydrogen. The distorted- wave impulse approximation is applied over the energy range 10-1500 keV/u. State-selective…
We employ quantum Monte Carlo to obtain chemically accurate vertical and adiabatic excitation energies, and equilibrium excited-state structures for the small, yet challenging, formaldehyde and thioformaldehyde molecules. A key ingredient…
In this paper we study the scaling of the correction of the Renyi entropy of the excited states in systems described, in the continuum limit, by a conformal field theory (CFT). These corrections scale as $L^{-\frac{2\Delta}{n}}$, where $L$…