Related papers: General-order open-shell coupled-cluster method wi…
Based on the non-skeleton diagrammatic expansion satisfying the compressibility and spin-susceptibility sum rules, we investigate static charge and spin responses in a two-dimensional extended Hubbard model with the nearest-neighbor Coulomb…
In this thesis we study the evolution of systems of concentric shells interacting gravitationally and in the process (1) propose and implement a nearly energy-conserving numerical integration scheme for evolving the concentric spherical…
The Liouville space spin relaxation theory equations are reformulated in such a way as to avoid the computationally expensive Hamiltonian diagonalization step, replacing it by numerical evaluation of the integrals in the generalized…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
Recent developments of high-order CCM have been to extend existing formalism and codes to $s \ge \frac 12$ for both the ground and excited states. In this article, we describe how "generalised" expectation values for a wide range of one-…
We present the entanglement properties of the spin-orbital coupling systems with multiple degrees of freedom. After constructing the maximally entangled spin-orbital basis of bipartite, we find that the quantum entanglement length in the…
A model is constructed in which pair potentials are combined with the cluster expansion method in order to better describe the energetics of structurally relaxed substitutional alloys. The effect of structural relaxations away from the…
We show that the recently proposed equations for holomorphic sector of higher-spin theory in $d=4$, also known as chiral, can be naturally extended to describe interacting symmetric higher-spin gauge fields in any dimension. This is…
Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…
In recent work, we initiated a research program aimed at the systematic investigation of quantum superintegrable systems describing the interaction of two non-relativistic spin-$1/2$ particles in three-dimensional Euclidean space. In that…
Spin models like the Heisenberg Hamiltonian effectively describe the interactions of open-shell transition-metal ions on a lattice and can account for various properties of magnetic solids and molecules. Numerical methods are usually…
We present an unfolded off-shell formulation for free massless higher-spin fields in 4d Minkowski space in terms of spinorial variables. This system arises from the on-shell one by the addition of external higher-spin currents, for which we…
This work develops a new generalized technique for determining the static and dynamic properties of any non-collinear magnetic system. By rotating the spin operators into the local spin reference frame, we evaluate the zeroth, first, and…
We report the failure of coupled-cluster valence-bond (CCVB) theory with two-pair configurations [J. Chem. Phys. 2009, 130, 084103 (2009)] for open-shell (OS) spin-frustrated systems where including three-pair configurations is necessary to…
We present a framework for simulating the open dynamics of spin-boson systems by combining variational non-Gaussian states with a quantum trajectories approach. We apply this method to a generic spin-boson Hamiltonian that has both…
We present a scalable scheme to design optimized soft pulses and pulse sequences for coherent control of interacting quantum many-body systems. The scheme is based on the cluster expansion and the time dependent perturbation theory…
The tensorial form of the spin-other-orbit interaction operator in the formalism of second quantization is presented. Such an expression is needed to calculate both diagonal and off-diagonal matrix elements according to an approach, based…
In this work, in order to obtain higher-order schemes for solving forward backward stochastic differential equations, we adopt the high-order multi-step method in [W. Zhao, Y. Fu and T. Zhou, SIAM J. Sci. Comput., 36(4) (2014),…
The $sp(2M)$ invariant unfolded system is considered in the periodic twistor-like spinor space. Complete set of non-trivial charges corresponding to the global symmetry compatible with the periodicity conditions is constructed. Residual…
To handle the control difficulties caused by high-order dynamics, a control structure based on fractional order [proportional integral] (PI) controller and fractional order Smith-like predictor for a class of high order systems in the type…