Related papers: Geminal wavefunctions with Jastrow correlation: a …
We study the tensor-optimized antisymmetrized molecular dynamics (TOAMD) as a successive variational method in many-body systems with strong interaction for nuclei. In TOAMD, the correlation functions for the tensor force and the…
A new trial wave function is proposed for nuclear physics, in which an exact solution to the long-standing center-of-mass problem is given. In the new approach, the widths of the single-nucleon Gaussian wave packets and the widths of the…
A constructive theoretical platform for the description of quantum space-time crystals uncovers for $N$ interacting and ring-confined rotating particles the existence of low-lying states with proper space-time crystal behavior. The…
Ground state eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian are employed as a wavefunction ansatz to model strong electron correlation in quantum chemistry. This wavefunction is a product of weakly-interacting pairs of…
With modern computers we can compute nuclear many-body wave functions with an astounding number of component, $ > 10^{10}$. But, aside from reproducing and/or predicting experiments, what do we learn from vectors with tens of billions of…
Describing the Coulomb interactions between electrons in atomic or molecular systems is an important step to help us obtain accurate results for the different observables in the system. One convenient approach is to separate the dynamic…
We study three wave function optimization methods based on energy minimization in a variational Monte Carlo framework: the Newton, linear and perturbative methods. In the Newton method, the parameter variations are calculated from the…
It is virtually impossible to directly solve the Schr\"odinger equation for a many-electron wave function due to the exponential growth in degrees of freedom with increasing particle number. The two-body reduced density matrix (2-RDM)…
In this work, we report potential energy surfaces (PESs) of the sodium dimer calculated by variational (VMC) and lattice regularized diffusion Monte Carlo (LRDMC). The VMC calculation is accurate for determining the equilibrium distance and…
Single-reference methods such as Hartree-Fock-based coupled cluster theory are well known for their accuracy and efficiency for weakly correlated systems. For strongly correlated systems, more sophisticated methods are needed. Recent…
We present here a new approach to determine an accurate variational wavefunction for general quantum antiferromagnets, completely defined by the requirement to reproduce the simple and well known spin-wave expansion. By this wavefunction,…
We discuss the concept of a mesoscopic wavefunction, first in a general context, as the concept of wavefunction has evolved, and then in a more specific context of modeling. The paper concentrates on a simple, abstract one-dimensional…
A variational nodal partition of the correlation energy is introduced, $E_{\mathrm{cor}}=E_{\mathrm{sym}}+E_{\mathrm{stat}}$, relative to a chosen mean-field correlation baseline and its associated single-determinant node. Static…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo. Through a…
The cerium alpha-gamma phase transition is characterized by means of a many-body Jastrow-correlated wave function, which minimizes the variational energy of the first-principles scalar-relativistic Hamiltonian, and includes correlation…
The pheomenological Generalized Coherent State Model Hamiltonian is amended with a many body term describing a set of nucleons moving in a shell model mean-field and interacting among themselves with paring, as well as with a particle-core…
State-of-the-art many-body wave function techniques rely on heuristics to achieve high accuracy at an attainable cost to solve the many-body Schr\"odinger equation. By far the most common property used to assess accuracy has been the total…
We find the Jastrow factor introduced by Hellberg and Mele in their study of the one dimensional t-J model provides an exceedingly good variational description of the one dimensional XXZ model.
We establish the quantum mechanics of composite fermions based on the dipole picture initially proposed by Read. It comprises three complimentary components: a wave equation for determining the wave functions of a composite fermion in ideal…