Related papers: Resonating Valence Bond wave function: from lattic…
This article reviews the effort to understand the physics of high temperature superconductors from the point of view of doping a Mott insulator. The basic electronic structure of the cuprates is reviewed, emphasizing the physics of strong…
We construct a family of simple fermionic projected entangled pair states (fPEPS) on the square lattice with bond dimension $D=3$ which are exactly hole-doped resonating valence bond (RVB) wavefunctions with short-range singlet bonds. Under…
A core technology that has emerged from the artificial intelligence revolution is the recurrent neural network (RNN). Its unique sequence-based architecture provides a tractable likelihood estimate with stable training paradigms, a…
We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the benzene molecule, by using pseudopotentials for the…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
The Empirical Valence Bond (EVB) method offers a suitable framework to obtain reactive potentials through the coupling of non-reactive force fields. However, most of the implemented functional forms for the coupling terms depend on complex…
Variational wave function is proposed to describe electronic properties of an array of one-dimensional conductors coupled by transverse hopping and interaction. For weak or intermediate in-chain interaction the wave function has the…
We determine the resonating-valence-bond (RVB) state in graphene using real-space quantum Monte Carlo with correlated variational wave functions. Variational and diffusion quantum Monte Carlo (DMC) calculations with…
Numerical results are presented for a generalized resonance valence bond state which includes both ionic and covalent contributions in each bond ; non nearest-neighbor bonds are also considered. Variational calculations have been performed…
In the study of electronic structure, the wavefunction view dominates the current research landscape and forms the theoretical foundation of modern quantum mechanics. In contrast, Valence Bond (VB) theory represents chemical bonds as shared…
Superconductivity in an uncompensated boron doped diamond, a very recent observation, is strikingly close to an earlier observation of Anderson-Mott insulator to metal transition, prompting us to suggest an electron correlation driven…
The Hubbard model in the strong-coupling regime is studied by the Kondo-lattice theory. If no symmetry is broken at a sufficiently low temperature in sufficiently low dimensions, an electron liquid is stabilized by the Fock-type exchange…
This review gives a rather general discussion of high temperature superconductors as an example of a strongly correlated material. The argument is made that in view of the many examples of unconventional superconductors discovered in the…
The empirical valence bond (EVB) method [J. Chem. Phys. 52, 1262 (1970)] has always embodied charge transfer processes. The mechanism of that behavior is examined here and recast for use as a new empirical potential energy surface for…
TurboRVB is a computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC),…
We present a self-consistent RVB theory which unifies the metallic (superconducting) phase with the half-filling antiferromagnetic (AF) phase. Two crucial factors in this theory include the RVB condensation which controls short-range AF…
We show that the mean-field resonating valence bond approximation proposed in 1987 by Baskaran, Zou, and Anderson describes gapless charge pair excitations confined to the boundaries of the spinon Brillouin zone. The existence of such pairs…
Motivated by the recent discovery of superconductivity in two dimensional CoO$_2$ layers, we present some possibly useful results of the RVB mean field theory applied to the triangular lattice. Away from half filling, the order parameter is…
The nature of the kagome Heisenberg antiferromagnet (HAFM) is under ongoing debate. While recent evidence points towards a Z_2 topological spin liquid, the exact nature of the topological phase is still unclear. In this paper, we introduce…
We study the potential energy surface of the ozone molecule by means of Quantum Monte Carlo simulations based on the resonating valence bond concept. The trial wave function consists of an antisymmetrized geminal power arranged in a…