相关论文: N-Representability Violations in Truncated Equatio…

The reduced density matrices (RDMs) are calculated in the thermodynamic limit for the Chern-Simons non-relativistic particle system and Maxwell-Boltzmann (MB) statistics. It is established that they are zero outside of a diagonal and…

In the N-B-LSSM, we calculate the electric dipole moments (EDMs) of lepton and neutron at the one loop level via the Mass Insertion Approximation (MIA). In the Standard Model (SM), charge parity (CP) violation originates only from the…

In this contribution we review in a rigorous, yet comprehensive fashion the assessment of the one-body reduced density matrices derived from the most used single-reference excited-state calculation methods in the framework of the…

Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that spans the liquid, warm dense matter (WDM), and plasma regimes.…

We report in this paper an implementation of 4-component relativistic Hamiltonian based Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the calculation of ionization potential (IP), electron affinity (EA)…

We analyze the effects of CP-violating phases on the electric dipole moment (EDM) of electron and neutron in the constrained minimal supersymmetric model. We find that the phases phi_{\mu} and phi_{A_0} have to be strongly correlated, in…

Area laws describe how entanglement entropy scales and thus provide important necessary conditions for efficient quantum many-body simulation, but they do not, by themselves, yield a direct measure of computational complexity. Here we…

Quantum state tomography via local measurements is an efficient tool for characterizing quantum states. However it requires that the original global state be uniquely determined (UD) by its local reduced density matrices (RDMs). In this…

We review several aspects of flavour-diagonal CP violation, focussing on the role played by the electric dipole moments (EDMs) of leptons, nucleons, atoms and molecules, which consitute the source of several stringent constraints on new…

Correlation-driven phenomena in molecular periodic systems are challenging to predict computationally not only because such systems are periodically infinite but also because they are typically strongly correlated. Here we generalize the…

The contribution of the R-parity violating minimal supersymmetric Standard model (RPVMSSM) at the one-loop level to the 199Hg atomic electric dipole moment (EDM) through P, CP-odd electron-nucleon (e-N) interaction is calculated. We show…

Ground state energies and on-site density-density correlations are calculated for the 1-D Hubbard model using a linear combination of the Hubbard projection operators. The mean-field coefficients in the resulting linearized Equations of…

We analyze the constraints placed on individual, flavor diagonal CP-violating phases in the minimal supersymmetric extension of the Standard Model (MSSM) by current experimental bounds on the electric dipole moments (EDMs) of the neutron,…

The reduced-density-matrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schr\"odinger equation for the ground state. The number of variables is the same as a…

We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions, fixed nuclei, and N electrons (N>1). Near appropriate electronic collisions, we determine the regularity of the…

Classical shadow tomography provides a randomized scheme for approximating the quantum state and its properties at reduced computational cost with applications in quantum computing. In this Letter we present an algorithm for realizing fewer…

A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…

It is well known that the ground state energy of many-particle Hamiltonians involving only 2-body interactions can be obtained using constrained optimizations over density matrices which arise from reducing an N-particle state. While…

The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…

We investigate Lorentz- and CPT-violating effects in neutron and storage-ring electric dipole moment (EDM) experiments within the framework of the Standard-Model Extension (SME). For neutron EDM experiments, perturbation theory is applied…