相关论文: Variation after Angular Momentum Projection for th…
We study structure of excited states of 10Be with the method of variation after spin parity projection in the framework of antisymmetrized molecular dynamics. Present calculations describe many excited states and reproduce the experimental…
In this paper, an improvement has been made on the variation after projection (VAP) method, which is crucial in the calculations of high-spin states. It turns out that, the form of the trial VAP wave function with spin $J$ can be simplified…
We present a novel and simple algorithm in the variation after projection (VAP) approach for the non-yrast nuclear states. It is for the first time that the yrast state and non-yrast states can be varied on the same footing. The…
For study of dipole excitations, a new method of variation after $K$-projection in the framework of antisymmetrized molecular dynamics (AMD) with the deformation $\beta$ constraint was proposed. The method was applied to $^{10}$Be and…
A self-consistent calculation with variation after parity projection is proposed to study both ground and excited states of light nuclei. This procedure provides description of the ground state incorporating some correlation effects, and…
We implemented a variation after projection (VAP) algorithm based on a triaxially deformed Hartree-Fock-Bogoliubov vacuum state. This is the first projected mean field study that includes all the quantum numbers (except parity), i.e., spin…
Determining quantum excited states is crucial across physics and chemistry but presents significant challenges for variational methods, primarily due to the need to enforce orthogonality to lower-energy states, often requiring…
We present a new method for modeling electronically excited states that overcomes a key failing of linear response theory by allowing the underlying ground state ansatz to relax in the presence of an excitation. The method is variational,…
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…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
We studied the ground and excited states of $^{12}$C based on variational calculations after spin-parity projection in a framework of antisymmetrized molecular dynamics(AMD). The calculations systematically reproduce various experimental…
A precise study within variational approach of the basic properties of the three-particle spectrum and structure functions with Gaussian potential near the critical coupling constant of interaction where the Efimov effect takes place is…
The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…
The structures of the ground and excited states of Be-11 were studied with a microscopic method of antisymmetrized molecular dynamics. The theoretical results reproduce the abnormal parity of the ground state and predict various kinds of…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excited states that must be considered. In thermal density functional theory, these excited states are averaged over to produce a single,…
We present a multi-reference configuration mixing scheme for describing ground and excited states, with well defined spin and space group symmetry quantum numbers, of the one-dimensional Hubbard model with nearest-neighbor hopping and…
Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…
This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…
We present the numerical code TAURUS_vap that solves the variation after particle-number projection equations for symmetry-unrestricted real Bogoliubov quasiparticle states represented in a spherical harmonic oscillator basis. The model…