相关论文: Nuclear Excitations Described by Randomly Selected…
We propose a new theoretical approach to ground and low-energy excited states of nuclei extending the nuclear mean-field theory. It consists of three steps: stochastic preparation of many Slater determinants, the parity and angular momentum…
To calculate excited states in quantum many-body systems, multi-configuration mixing has often been employed. However, it has been still unclear how to choose important Slater determinants from a huge model space. We propose a novel…
We propose a simple, easy to implement, variant of the EXCITED method for variational many-body calculations for excited states. We apply this method to the Hybrid Multideterminant method(HMD). We test this method with relatively few Slater…
Large-scale calculation based on the multi-configuration Skyrme density functional theory is performed for the light N=Z even-even nucleus, 12C. Stochastic procedures and the imaginary-time evolution are utilized to prepare many Slater…
We propose a method to optimize the multi-Slater determinants of the antisymmetrized molecular dynamics (AMD) in the linear combination form and apply it to the neutron-rich $^{10}$Be nucleus. The individual Slater determinants and their…
Excited states in molecules can be difficult to investigate and generally require methods that are either computationally expensive or are not universally accurate. Recent research has focused on using higher-energy Slater determinants as…
A method is presented in which the ground-state subspace is projected out of a Hamiltonian representation. As a result of this projection, an effective Hamiltonian is constructed where its ground-state coincides with an excited-state of the…
We calculate densities of excited states in the quasiparticle random-phase approximation (QRPA)with Skyrme interactions and volume pairing. We focus on low-energy peaks/bumps in the strength functions of a range of Ca, Ni, and Sn isotopes…
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…
A novel method for the precise identification and determination of the energies that contribute in the spectral decomposition of lattice correlators is presented. The method is based on statistical concepts and it relies heavily on…
We combine recent advances in excited state variational principles, fast multi-Slater Jastrow methods, and selective configuration interaction to create multi-Slater Jastrow wave function approximations that are optimized for individual…
We calculate the contribution of the decay products of excited nuclear cluster states to the event-by-event fluctuations of protons in the energy range from $\sqrt{s_{NN}}=2-5$~GeV within the statistical model. We find that the inclusion of…
The computation of excited electronic states with commonly employed (approximate) methods is challenging, typically yielding states of lower quality than the corresponding ground state for a higher computational cost. In this work, we…
In this article, we describe a recursive method to construct a subset of relevant Slater-determinants for the use in many-body diagonalization schemes that will be employed in our forthcoming papers on the simulation of excited many-body…
A deep-learning approach to optimize the selection of Slater determinants in configuration interaction calculations for condensed-matter quantum many-body systems is developed. We exemplify our algorithm on the discrete version of the…
We apply the optimized-basis generator coordinate method (OptGCM) to sd-shell nuclei, $^{20}$Ne, $^{24}$Mg, and $^{28}$Si. This method variationally optimizes both the basis Slater determinants in the generator coordinate method (GCM) and…
We propose a new block localized excitation (BLE) method to directly construct diabatic excited states without the need to first compute the adiabatic states. The new method is capable to keep any electrons, spins, and excitations localized…
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…
In this communication, we propose a method for obtaining isolated excited states within the Full Configuration Interaction Quantum Monte Carlo framework. This method allows for stable sampling with respect to collapse to lower energy states…
We characterize and classify quantum correlations in two-fermion systems having 2K single-particle states. For pure states we introduce the Slater decomposition and rank (in analogy to Schmidt decomposition and rank), i.e. we decompose the…