相关论文: Characterizing a configuration interaction excited…
We apply the method of Monte Carlo configuration interaction (MCCI) to calculate ground-state potential energy curves for a range of small molecules and compare the results with full configuration interaction. We show that the MCCI…
A 2+1 dimensional fermion field theory is proposed as a model for the low-energy electronic excitations in monolayer graphene. The model consists of N=2 four-component Dirac fermions moving in the plane and interacting via a contact…
A systematic method to account for electron correlation in periodic systems which can predict quantitatively correct band structures of non-conducting solids from first principles is presented. Using localized Hartree-Fock orbitals (both…
The accurate calculation of excited state properties of interacting electrons in the condensed phase is an immense challenge in computational physics. Here, we use state-of-the-art equation-of-motion coupled-cluster theory with single and…
We map the mean-field Ising model equation of state onto the QCD phase diagram, and reconstruct the full coexistence region in the case of a first order phase transition. Beyond the coexistence line, we maintain access to the spinodal…
Single reference coupled-cluster (CC) methods for electronic excitation are based on a biorthogonal representation (bCC) of the (shifted) Hamiltonian in terms of excited CC states, also referred to as correlated excited (CE) states, and an…
We propose using the wave function generated by the quantum selected configuration interaction (QSCI) method as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC). In the QSCI framework, electronic…
A novel Monte Carlo technique has been developed to determine lifetimes of excited states in the tens-to-hundreds femtoseconds range. The method is applied to low-energy heavy-ion binary reactions populating nuclei with complex velocity…
In this article we provide a general mechanism for generating interaction-enabled fermionic topological phases. We illustrate the mechanism with crystalline symmetry-protected topological phases in 1D and 2D. These non-trivial phases…
Accurate atomic structure calculations of complicated atoms with 4 or more valence electrons begin to push the memory and time limits of supercomputers. This paper presents a robust method of decreasing the size of \textit{ab initio}…
We study the thermodynamics of clean structures composed of superconductor (S) and ferromagnet (F) layers and consisting of one or more SFS junctions. We use fully self consistent numerical methods to compute the condensation free energies…
We consider the critical behavior at an interface which separates two semi-infinite subsystems belonging to different universality classes, thus having different set of critical exponents, but having a common transition temperature. We…
One of the most active areas of physics in the last decades has been that of critical phenomena, and Monte Carlo simulations have played an important role as a guide for the validation and prediction of system properties close to the…
The thermodynamical properties of a generalized Dicke model are calculated and related with the critical properties of its energy spectrum, namely the quantum phase transitions (QPT) and excited state quantum phase transitions (ESQPT). The…
Transition metal doping is commonly used for altering the properties of solid-state materials to suit applications in science and technology. Partially filled $d$-shells of transition metal atoms lead to electronic states with diverse…
Descriptions of heavy-ion collisions at Fermi energies require to take into account in-medium dissipation and phase-space fluctuations. The interplay of these correlations with the one-body collective behaviour determines the properties…
We demonstrate a fully integrable and reconfigurable platform for controlling quantum emission by harnessing chiral exceptional bound states in the continuum (BICs) as a higher-order non-Hermitian singularity. Our architecture employs…
The B-spline R-matrix and the convergent close-coupling methods are used to study electron collisions with neutral beryllium over an energy range from threshold to 100 eV. Coupling to the target continuum significantly affects the results…
In the first part, expressions are given for the {\it sign} of the topological angle that is acquired upon making a loop around a degeneracy ("conical intersection") point of two molecular energy surfaces. The expressions involve the…
We show that superconducting correlations in the presence of non-zero condensate velocity can mediate the peculiar interaction between localized spins that breaks the global inversion symmetry of magnetic moments. The proposed interaction…