Related papers: A Mean Field Platform for Excited State Quantum Ch…
Coupled cluster theory in the standard formulation is unable to correctly describe conical intersections among states of the same symmetry. This limitation has restricted the practical application of an otherwise highly accurate electronic…
Motivated by a recent proposal of a Bethe approximation for the triangular Ising antiferromagnet [Phys. Rev. B {\bf 56}, 8241 (1997)], which seems to predict a disordered phase at any temperature in zero field, we analyze in some detail…
We use a recently developed bosonic mean-field theory (MFT) to study the ordered ground states of frustrated Heisenberg antiferromagnets (FHAFM) in two dimensions. We emphasize the role of condensates in satisfying the MF variational…
The essence of atomic structure theory, quantum chemistry, and computational materials science is solving the multi-electron stationary Schr\"odinger equation. The Quantum Monte Carlo-based neural network wave function method has surpassed…
Using dynamical mean-field theory (DMFT) we study a simplified model for heterostructures involving superconductors. The system is driven out-of-equilibrium by a voltage bias, imposed as an imbalance of chemical potential at the interface.…
The excess entanglement resulting from exciting a finite number of quasiparticles above the ground state of a free integrable quantum field theory has been investigated quite extensively in the literature. It has been found that it takes a…
{Full three dimensional static and dynamic mean field calculations using collocation basis splines with a Skyrme type Hamiltonian are described. This program is developed to address the difficult theoretical challenges offered by exotic…
We discuss a non-equilibrium dynamical mean-field framework for simulating inhomogeneous Hubbard models with local disorders. Our approach treats electron interactions and disorders on equal footing, by considering only local dynamical…
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…
The extended dynamical mean field theory has played an important role in the study of quantum phase transitions in heavy fermion systems. In order to incorporate the physics of unconventional superconductivity, we develop a cluster version…
In accordance with recent experiments the mean-field type theories predict the presence of numerous metastable minima (states) in the rugged free-energy landscape of frustrated disordered magnets. This multiplicity of long-lived states with…
In this paper, we report on the implementation of CC2 and CC3 in the context of molecules in finite magnetic fields. The methods are applied to the investigation of atoms and molecules through spectroscopic predictions and geometry…
The quantum theory of fields is largely based on studying perturbations around non-interacting, or free, field theories, which correspond to a collection of quantum-mechanical harmonic oscillators. The quantum theory of an ordinary fluid is…
Recent results in computing excited-state energies and meson-meson scattering phase shifts in lattice QCD are presented. A stochastic method of treating the low-lying modes of quark propagation that exploits Laplacian Heaviside quark-field…
Recently we have proposed an effective Hartree-Fock (EHF) theory for the electrons of the muonic molecules that is formally equivalent to the HF theory within the context of the Nuclear-Electronic Orbital theory [Phys. Chem. Chem. Phys. 20,…
We review two analytical approaches in Dynamical Mean-Field Theory (DMFT) based on a perturbation theory expansion over the electron hopping to and from the self consistent environment. In the first approach the effective single impurity…
The pair coupled cluster doubles (pCCD) method (where the excitation manifold is restricted to electron pairs) has a series of interesting features. Among others, it provides ground-state energies very close to what is obtained with…
The diffraction patterns of crystalline materials with strongly-correlated disorder are characterised by the presence of structured diffuse scattering. Conventional analysis approaches generally seek to interpret this scattering either…
Starting from constrained Skyrme-mean-field calculations, the low-energy excitation spectrum of 16O is calculated by configuration mixing of particle-number and angular-momentum projected mean-field states in the framework of the Generator…
We propose an entanglement mean field theory inspired approach for dealing with interacting classical many-body systems. It involves a coarse-graining technique that terminates a step before the mean field theory: While mean field theory…