Plasma Confined Ground and Excited State Helium Atom: A Comparison Theorem Study Using Variational Monte Carlo and Lagrange Mesh Method

The energy eigenvalues of the ground state helium atom and lowest two excited states corresponding to the configurations 1s2s embedded in the plasma environment using Hulthén, Debye–Hückel and exponential cosine screened Coulomb model potentials are investigated within the variational Monte Carlo method, starting with the ultracompact trial wave functions in the form of generalized Hylleraas–Kinoshita functions and Guevara–Harris–Turbiner functions. The Lagrange mesh method calculations of energy are reported for the He atom in the ground and excited 1S and 3S states, which are in excellent agreement with the variational Monte Carlo results. Interesting relative ordering of eigenvalues are reported corresponding to the different screened Coulomb potentials in the He ground and excited electronic states, which are rationalized in terms of the comparison theorem of quantum mechanics.

A random-sampling method as an efficient alternative to variational Monte Carlo for solving Gutzwiller wavefunctions

We present a random-sampling (RS) method for evaluating expectation values of physical quantities using the variational approach. We demonstrate that the RS method is computationally more efficient than the variational Monte Carlo method using the Gutzwiller wavefunctions applied on single-band Hubbard models as an example. Non-local constraints can also been easily implemented in the current scheme that capture the essential physics in the limit of strong on-site repulsion. In addition, we extend the RS method to study the antiferromagnetic states with multiple variational parameters for 1D and 2D Hubbard models.

Mechanism of High-Temperature Superconductivity in Correlated-Electron Systems

It is very important to elucidate the mechanism of superconductivity for achieving room temperature superconductivity. In the first half of this paper, we give a brief review on mechanisms of superconductivity in many-electron systems. We believe that high-temperature superconductivity may occur in a system with interaction of large-energy scale. Empirically, this is true for superconductors that have been found so far. In the second half of this paper, we discuss cuprate high-temperature superconductors. We argue that superconductivity of high temperature cuprates is induced by the strong on-site Coulomb interaction, that is, the origin of high-temperature superconductivity is the strong electron correlation. We show the results on the ground state of electronic models for high temperature cuprates on the basis of the optimization variational Monte Carlo method. A high-temperature superconducting phase will exist in the strongly correlated region.

Alpha correlations in terms of the hyper-Pfaffian

We find that the overlap between alpha-like four-body condensation wave function and m-scheme basis state can be represented by the hyper-Pfaffian, which is a natural extension of the Pfaffian for thepair-condensation wave function. This overlap is useful for nuclear structure calculations with the variational Monte Carlo method. As the hyper-Pfaffian has, however, only a few mathematical relations, it is quite difficult to use for numerical computations. We also find that a specific case of hyper-Pfaffian can be expressed by the sum of standard Pfaffians.