Related papers: Is it possible to construct excited-state energy f…
An essentially-exact approach to compute the wavefunction in the time-dependent many-boson Schr\"odinger equation is derived and employed to study accurately the process of splitting a trapped condensate when ramping-up a barrier such that…
In the last several years, the Casimir energy for a variety of 1+1-dimensional integrable models has been determined from the exact S-matrix. It is shown here how to modify the boundary conditions to project out the lowest-energy state,…
We develop a method of computing the excited state energies in Integrable Quantum Field Theories (IQFT) in finite geometry, with spatial coordinate compactified on a circle of circumference R. The IQFT ``commuting transfer-matrices''…
We present a method for calculating the kinetic energy of localised functions represented on a regular real space grid. This method uses fast Fourier transforms applied to restricted regions commensurate with the simulation cell and is…
We propose exchanging the energy functionals in ground-state DFT with physically equivalent exact force expressions as a new promising route towards approximations to the exchange-correlation potential and energy. In analogy to the usual…
We report excited-state spectroscopy on a quantum dot side-coupled to a quantum wire with accurate energy estimation. Our method utilizes periodic voltage pulses on the dot, and the energy calibration is performed with reference to the bias…
We construct superposition states of energy eigenstates of the hydrogen molecule using classically emulated digital quantum simulation. We generate the ground state and excited states of the system via the twirling operation method, and…
This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…
State-average calculations based on mixture of states are increasingly being exploited across chemistry and physics as versatile procedures for addressing excitations of quantum many-body systems. If not too many states should need to be…
We show that the total kinetic energy (TKE) of nuclei after the spontaneous fission of $^{258}$Fm can be well reproduced using simple assumptions on the quantum collective phase-space explored by the nucleus after passing the fission…
Recently developed neural network-based wave function methods are capable of achieving state-of-the-art results for finding the ground state in real space. In this work, a neural network-based method is used to compute excited states. We…
In this paper we consider excited state g-functions, that is, overlaps between boundary states and excited states in boundary conformal field theory. We find a new method to calculate these overlaps numerically using a variation of the…
Using the master equation we calculate the contribution of the excited state of a two-level atom to its interacting potential with a perfectly conducting wall at finite temperature. For low temperature, $\hbar \omega_0/k_B T = k_0…
This work continues a program to systematically generalize the Skyrme Hartree-Fock method for medium and heavy nuclei by applying effective field theory (EFT) methods to Kohn-Sham density functional theory (DFT). When conventional Kohn-Sham…
We present a method for finding individual excited states' energy stationary points in complete active space self-consistent field theory that is compatible with standard optimization methods and highly effective at overcoming difficulties…
There is a number of explicit kinetic energy density functionals for non-interacting electron systems that are obtained in terms of the electron density and its derivatives. These semilocal functionals have been widely used in the…
Quantum chemistry is one of the important applications of quantum information technology. Especially, an estimation of the energy gap between a ground state and excited state of a target Hamiltonian corresponding to a molecule is essential.…
We present a first principles strategy for developing state-specific density functional approximations for excited states. We first clarify why approaches based on conventional ground state approximations miss density-driven correlations,…
The last years have seen significant developments in methods relating two- and three-particle finite-volume energies to scattering observables. These relations hold for both weakly and strongly interacting systems, and studying their…
We explore the possibility to perform symmetry restoration with the variation after projection technique on a quantum computer followed by additional post-processing. The final goal is to develop configuration interaction techniques based…