相关论文: Regularized and Opposite spin-scaled functionals f…
We apply the microscopic coupled-cluster method (CCM) to the spin-$1\over2$ $XXZ$ models on both the one-dimensional chain and the two-dimensional square lattice. Based on a systematic approximation scheme of the CCM developed by us…
We study the growth dynamics of ordered structures of strongly interacting polar molecules in optical lattices. Using dipole blockade of microwave excitations, we map the system onto an interacting spin-1/2 model possessing ground states…
The method for calculation of the correlation functions of the Ising-type systems with short-range interaction and with arbitrary value of spin is developed within cluster approximation. For the Ising model (spin $S^z=\pm1$) the expressions…
We demonstrate that simple feed-forward neural networks (NNs) can accurately compute correlation functions of conformal field theories (CFTs) on a line. Strikingly, by optimising a NN solely on crossing symmetry and providing only the…
For the two-dimensional electron gas, the exact high-density limit of the correlation energy is evaluated here numerically for all values of the spin polarization. The result is spin-resolved into $\uparrow\uparrow$, $\uparrow\downarrow$,…
The notion of chiral-induced spin selectivity (CISS) has attracted intensive research interest recently. However, the practical applications of the CISS effects face challenges due to relatively low spin polarization. In this Letter, we…
We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…
Second-order Moller-Plesset perturbation theory (MP2) for ab initio simulations of solids is often limited by divergence or over-correlation issues, particularly in metallic, narrow-gap, and dispersion-stabilized systems. We develop and…
The S66 benchmark for noncovalent interactions has been re-evaluated using explicitly correlated methods with basis sets near the one-particle basis set limit. It is found that post-MP2 "high-level corrections" are treated adequately well…
The efficiency of dipole-dipole coupling driven coherence transfer experiments in solid-state NMR spectroscopy of powder samples is limited by dispersion of the orientation of the internuclear vectors relative to the external magnetic…
Frustrated spin-ice systems support emergent gauge fields and fractionalized quasiparticles that act as magnetic monopoles. Although artificial platforms have enabled their direct visualization, access to their quantum-coherent dynamics has…
The optical spin noise spectroscopy (SNS) is a minimally invasive route towards obtaining dynamical information about electrons and atomic gases by measuring mesoscopic time-dependent spin fluctuations. Recent improvements of the…
The inherent nonlinearity of the power flow equations poses significant challenges in accurately modeling power systems, particularly when employing linearized approximations. Although power flow linearizations provide computational…
We propose a simplification of the Optimized Effective Potential (OEP) applied to the Self Interaction Correction (SIC) scheme of Density Functional Theory (DFT). The new scheme fulfills several key formal properties and turns out to be…
A revised program for generating the spin-angular coefficients in relativistic atomic structure calculations is presented. When compared with our previous version [G.Gaigalas, S.Fritzsche and I.P.Grant, CPC 139 (2001) 263], the new version…
We present an efficient implementation of the low-cost linear-response coupled-cluster singles and doubles (LR-CCSD) method for computing static and frequency-dependent polarizabilities in systems with significant relativistic and…
We have developed a systematic approach to calculate the correlation function for spin-1/2 particles, incorporating both central and noncentral components of the interparticle interaction. This is achieved by extending the variable phase…
The spin magnetic dipole transitions and the neutron-proton spin-spin correlations in $sd-$shell even-even nuclei with $N=Z$ are investigated using shell model wave functions taking into accout enhanced isoscalar (IS) spin-triplet pairing…
Motivated by the success of models based on chiral symmetry in NN interactions we investigate self-interacting scalar, pseudoscalar and vector meson fields and their impact for NN forces. We parametrize the corresponding nonlinear field…
Selected configuration interaction (SCI) methods, when complemented with a second-order perturbative correction, provide near full configuration interaction (FCI) quality energies with only a small fraction of the Slater determinants of the…