Related papers: N-Representability Violations in Truncated Equatio…
We study the concept of entanglement distance between two quantum states which quantifies the amount of information shared between their reduced density matrices (RDMs). Using analytical arguments combined with…
We study a quantum dynamical system of N, O(N) symmetric, nonlinear oscillators as a toy model to investigate the systematics of a 1/N expansion. The closed time path (CTP) formalism melded with an expansion in 1/N is used to derive time…
From the underlying Master equations we derive one-dimensional stochastic processes that describe generalized ensemble simulations as well as tempering (simulated and parallel) simulations. The representations obtained are either in the…
Quantum states are represented by positive semidefinite Hermitian operators with unit trace, known as density matrices. An important subset of quantum states is that of separable states, the complement of which is the subset of…
The Next-to-Minimal Supersymmetric Standard Model (NMSSM) with explicit CP violation offers a promising framework for explaining the observed baryon asymmetry while remaining consistent with stringent electric dipole moment (EDM) bounds. In…
General theorem describing a relation between diagonal of one-electron density matrix and a certain class of many-electron ensembles of determinant states is proved. As a corollary to this theorem a constructive proof of sufficiency of…
Considering the CP violating phases, we analyze the neutron electric dipole moment (EDM) in a CP violating supersymmetric extension of the standard model where baryon and lepton numbers are local gauge symmetries(BLMSSM). The contributions…
A number of iterative and perturbative approximations to the full equation-of-motion coupled cluster method with single, double, and triple excitations (EOM-CCSDT) are evaluated in the context of calculating the K-edge core-excitation and…
The relations between matrix elements of different P- and T-odd weak interactions are derived. We demonstrate that similar relations hold for parity nonconserving (PNC) transition amplitudes and electron electric dipole moments (EDM) of…
Certification and quantification of correlations for multipartite states of quantum systems appear to be a central task in quantum information theory. We give here a unitary quantum-mechanical perspective of both entanglement and…
Triggered by a controversy surrounding a universal behaviour of the power spectrum in quantum systems exhibiting regular classical dynamics, we focus on a model of random diagonal matrices (RDM), often associated with the Poisson spectral…
Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated quantum many-particle systems. For the simplest spinless fermion (or boson) systems with say $m$ fermions (or bosons) in $N$ single…
We investigate the convergence of quasi-particle energies for periodic systems to the thermodynamic limit using increasingly large simulation cells corresponding to increasingly dense integration meshes in reciprocal space. The…
We reexamine $\Delta$CCSD, a state-specific coupled-cluster (CC) with single and double excitations (CCSD) approach that targets excited states through the utilization of non-Aufbau determinants. This methodology is particularly efficient…
We construct the relationship between nonrenormalizable,effective, time-reversal violating (TV) parity-conserving (PC) interactions of quarks and gauge bosons and various low-energy TVPC and TV parity-violating (PV) observables. Using…
A puzzling implication of current data interpreted in the $\Lambda$CDM cosmology is the preference for a negative sum of neutrino masses. Moving to $w_0w_a$CDM brings an appreciable fraction of the neutrino mass posterior back to positive…
Two-body reduced density matrices (2RDMs) encode the essential two-electron physics of electronic states, but their quartic storage cost poses a major limitation in practical workflows. We investigate a simple protocol to compress both…
Linear response approach to the relativistic coupled-cluster (RCC) theory has been extended to estimate contributions from the parity and time-reversal violating pseudoscalar-scalar (Ps-S) and scalar-pseudoscalar (S-Ps) electron-nucleus…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
State-of-the-art many-body wave function techniques rely on heuristics to achieve high accuracy at an attainable cost to solve the many-body Schr\"odinger equation. By far the most common property used to assess accuracy has been the total…