Related papers: Symmetry conserving Coupled Cluster Doubles wave f…
The random phase approximation (RPA) and the $GW$ approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by a local Kohn-Sham (KS) potential. In this work, we perform…
We combine the coherent modified Redfield theory (CMRT) with the equation of motion-phase matching approach (PMA) to calculate two-dimensional photon echo spectra for photoactive molecular complexes with an intermediate strength of the…
We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron gas. We combine the short-range ladder channel with the…
Recent results of the description of quadrupole moments of odd semi-magic nuclei are briefly reviewed. They are based on the self-consistent theory of finite Fermi systems with account for the phonon-particle coupling (PC) effects. The…
The accurate computation of non-linear optical properties (NLOPs) in large polymers requires accounting for electronic correlation effects with a reasonable computational cost. The Random Phase Approximation (RPA) used in the adiabatic…
Theoretical description of collective nuclear excitations and astrophysically relevant processes require methods going beyond the Random Phase Approximation (RPA) or Tamm-Dancoff Approximation (TDA), which are limited to…
We consider the rank-reduced coupled-cluster theory with single and double excitations (RR-CCSD) introduced recently [Parrish \emph{et al.}, J. Chem. Phys. {\bf 150}, 164118 (2019)]. The main feature of this method is the decomposed form of…
When the number of strongly correlated electrons becomes larger, the single-reference coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behavior, while traditional multi-reference approaches may no longer be applicable…
The Self-Consistent RPA (SCRPA) approach is elaborated for cases with a continuously broken symmetry, this being the main focus of the present article. Correlations beyond standard RPA are summed up correcting for the quasi-boson…
We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With optimized parameters, DLPNO-RPA achieves approximately 99.9%…
In the self-consistent approximation for the two-dimensional mean-field model we found an analytic solution for the ground state with a coexisting d-wave symmetric bond ordered pair density wave (PDW) and spin (SDW) or charge (CDW) density…
The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…
We investigate a model where superconducting electrons are coupled to a frequency dependent charge-density wave (CDW) order parameter Delta(w). Our approach can reconcile the simultaneous existence of low energy Bogoljubov quasiparticles…
Random phase approximation ground state contains electronic configurations where two (and more) identical electrons can occupy the same molecular spin-orbital violating the Pauli exclusion principle. This overcounting of electronic…
A phenomenological alpha-cluster model based on np-pair interactions and the charge symmetry of nuclear force allows one to estimate the Coulomb energy, the Coulomb radius R_C, the Coulomb energy of the last proton interaction with the…
Linear optical spectra of molecular aggregates are often approximated by classical optics methods such as the discrete-dipole approximation (DDA), coherent exciton scattering (CES), and coherent potential approximation (CPA), where the only…
Tensor robust principal component analysis (TRPCA) has received a substantial amount of attention in various fields. Most existing methods, normally relying on tensor nuclear norm minimization, need to pay an expensive computational cost…
We present our computational implementation of the equation-of-motion (EOM) coupled-cluster (CC) singles, doubles, and triples (SDT) method for computing doubly ionized (DIP) and two-electron attached (DEA) states within Q-CHEM. These…
Asymmetric Tensor PCA (ATPCA) is a prototypical model for studying the trade-offs between sample complexity, computation, and memory. Existing algorithms for this problem typically require at least…
Self-consistent relativistic random-phase approximation (RPA) in the radial coordinate representation is established by using the finite amplitude method (FAM). Taking the isoscalar giant monopole resonance in spherical nuclei as example,…