Related papers: Approximate and exact nodes of fermionic wavefunct…
A fermion node is subset of fermionic configurations for which a real wave function vanishes due to the antisymmetry and the node divides the configurations space into compact nodal cells (domains). We analyze the properties of fermion…
We investigate pfaffian trial wave functions with singlet and triplet pair orbitals by quantum Monte Carlo methods. We present mathematical identities and the key algebraic properties necessary for efficient evaluation of pfaffians.…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
Electron transfer at electrode interfaces to molecules in solution or at the electrode surface plays a vital role in numerous technological processes. However, treating these processes requires a unified and accurate treatment of the…
We study nodes of fermionic ground state wave functions. For 2D and higher we prove that spin-polarized, noninteracting fermions in a harmonic well have two nodal cells for arbitrary system size. The result extends to other…
Observation of topological phases beyond two-dimension (2D) has been an open challenge for ultracold atoms. Here, we realize for the first time a 3D spin-orbit coupled nodal-line semimetal in an optical lattice and observe the bulk line…
We consider the behavior of Fermi atoms on optical superlattices with two-well structure of each node. Fermions on such lattices serve as an analog simulator of Fermi type Hamiltonian. We derive a mapping between fermion quantum ordering in…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
The aim of this paper is to shed light on the topology and properties of the nodes (i.e. the zeros of the wave function) in electronic systems. Using the "electrons on a sphere" model, we study the nodes of two-, three- and four-electron…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…
The scattering of Dirac fermions in the background fields of topological solitons of the $(2+1)$-dimensional $\mathbb{CP}^{N-1}$ model is studied using analytical and numerical methods. It is shown that the exact solutions for fermionic…
This chapter provides a comprehensive review of fundamental concepts related to approximate natural orbital functionals (NOFs), emphasizing their significance in quantum chemistry and physics. Focusing on fermions, the discussion excludes…
We extend our analysis of two electrons on a sphere [Phys. Rev. A {\bf 79}, 062517 (2009); Phys. Rev. Lett. {\bf 103}, 123008 (2009)] to electrons on concentric spheres with different radii. The strengths and weaknesses of several…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We introduce a new fermionic variational wavefunction, generalizing the Bardeen-Cooper-Schrieffer (BCS) wavefunction, which is suitable for interacting multi-species spinful systems and sustaining superfluidity. Applications range from…
The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinants, but with the significant distinction that the…
A simple method of variational calculations of the electronic structure of a two-electron atom/ion, primarily near the nucleus, is proposed. The method as a whole consists of a standard solution of a generalized matrix eigenvalue equation,…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
It is shown that gauge theories with fermions are most naturally studied via a polar decomposition of the field variable. This is the fermionic analog of the preprint cond-mat/0210673. The hope is that these two put together will enable the…