Related papers: Excited State Specific Multi-Slater Jastrow Wave F…
The excitation energies and spins of the levels in the yrast superdeformed band of $^{191}$Hg have been determined from two single-step $\gamma$ transitions and the quasi-continuum spectrum connecting the superdeformed and normal-deformed…
Excited states exhibiting double excitation character are notoriously difficult to model using conventional single-reference methods, such as adiabatic time-dependent density-functional theory (TD-DFT) or equation-of-motion coupled cluster…
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Here, we extend the stochastic approaches applied in the…
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known…
We present a systematically-improvable approach to core excitations in variational Monte Carlo. Building on recent work in excited-state-specific Monte Carlo, we show how a straightforward protocol, starting from a quantum chemistry guess,…
To expand the existing QUEST database of accurate vertical transition energies [\href{https://doi.org/10.1002/wcms.1517}{V\'eril et al.~\textit{WIREs Comput.~Mol.~Sci.} \textbf{2021}, \textit{11}, e1517}], we have modeled more than 100…
We study the performance of permanent states (the bosonic counterpart of the Slater determinant state) as approximating functions for bosons, with the intention to develop variational methods based upon them. For a system of $N$ identical…
We propose an extension of the law of corresponding states that can be applied to systems - such as colloidal suspensions - that have widely different ranges of attractive interactions. We argue that, for such systems, the ``reduced''…
Density functional theory (DFT) based modeling of electronic excited states is of importance for investigation of the photophysical/photochemical properties and spectroscopic characterization of large systems. The widely used linear…
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…
Progress in computing the spectrum of excited baryons and mesons in lattice QCD is described. Large sets of spatially-extended hadron operators are used. The need for multi-hadron operators in addition to single-hadron operators is…
Variational wave functions based on a Margenau-Brink cluster model with short range and state dependent correlations, and angular momentum projection are obtained for some nuclei with $12 \leq A \leq 16$. The calculations have been carried…
We revisit the accuracy of the variational Monte Carlo (VMC) method by taking an example of ground state properties for the one-dimensional Hubbard model. We start from the variational wave functions with the Gutzwiller and long-range…
Orbital-lattice coupled excitation dynamics in orbitally degenerate correlated systems are examined. We present a theoretical framework, where both local vibronic excitations and superexchange-type inter-site interactions are dealt with on…
Rotating-wave approximation and its validity in multi-state quantum systems are studied through analytic approach. Their applicability is also verified from the viewpoint of generic states by the use of direct numerical integrations of the…
We examine the ground state and excitations of the one dimensional extended Hubbard model with long range interaction. The ground state wavefunctions and low lying excitations are given explicitly in the form of a Jastrow product of two…
The authors present a technique using variational Monte Carlo to solve for excited states of electronic systems. The technique is based on enforcing orthogonality to lower energy states, which results in a simple variational principle for…
To analyze quantum many-body Hamiltonians, recently, machine learning techniques have been shown to be quite useful and powerful. However, the applicability of such machine learning solvers is still limited. Here, we propose schemes that…
We present an implementation and benchmark of new approximations in multireference algebraic diagrammatic construction theory for simulations of neutral electronic excitations and UV/Vis spectra of strongly correlated molecular systems…
We present a mean field theory for excited states that is broadly analogous to ground state Hartree-Fock theory. Like Hartree-Fock, our approach is deterministic, state-specific, applies a variational principle to a minimally correlated…