相关论文: Multiple solutions of coupled-cluster equations fo…
We propose extensions and improvements of the statistical analysis of distributed multipoles (SADM) algorithm put forth by Chipot et al. in [6] for the derivation of distributed atomic multipoles from the quantum-mechanical electrostatic…
The Modified Quasichemcial Model in the Distinguishable-Pair Approximation (MQMDPA) for manifold short-range orders in liquids has been successfully extended to multicomponent solutions. The extension is conducted by means of the…
The multi-reference Coupled Cluster method first proposed by Meller et al (J. Chem. Phys. 1996) has been implemented and tested. Guess values of the amplitudes of the single and double excitations (the ${\hat T}$ operator) on the top of the…
We look at solutions (both BPS and non-BPS) of the $\mathbb{CP}^{N-1}$ model on $\mathbb{R} \times S^1$ (with twisted boundary conditions), in particular by using a conformal mapping technique, and we show how to interpret these solutions…
The nonlinear longitudinal response of a strongly coupled dusty plasma system is analytically investigated using the Generalized Hydrodynamic (GHD) model. It is shown that the Galilean invariant form of the model does not have soliton…
We study the existence of multi-bump solutions to Choquard equation $$ \begin{array}{ll} -\Delta u + (\lambda a(x)+1)u=\displaystyle\big(\frac{1}{|x|^{\mu}}\ast |u|^p\big)|u|^{p-2}u \mbox{ in } \,\,\, \R^3, \end{array} $$ where $\mu \in…
We derive the coupled-cluster doubles (CCD) amplitude equations by introduction of the particle-hole-time decoupled electronic self-energy. The resulting analysis leads to an expression for the ground state correlation energy that is…
The problem of long-range correlations of particles produced in high- energy collisions is discussed. Long-range correlations involve large groups of particles. Among them are, e.g., those correlations which lead to ring-like and elliptic…
We prove the existence of multiple solutions to the Allen--Cahn--Hilliard (ACH) vectorial equation (with two equations) involving a triple-well (triphasic) potential with a small volume constraint on a closed parallelizable Riemannian…
In this paper, we study the existence of multiple normalized solutions to the following dipolar Gross-Pitaveskii equation with a mass subcritical perturbation \begin{align*} \left\{ \begin{array}{lll} -\frac{1}{2}\Delta u+\mu…
The semi-empirical Pariser-Parr-Pople (PPP) Hamiltonian is reviewed for its ability to provide a minimal model of the chemistry of conjugated $\pi$-electron systems, and its current applications and limitations are discussed. From its…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
Linearized Coupled Cluster Doubles (LinCCD) often provides near-singular energies in small-gap systems that exhibit static correlation. This has been attributed to the lack of quadratic $T_2^2$ terms that typically balance out small energy…
Given a compact Riemannian manifold $(M,g)$ without boundary of dimension $m\geq 3$ and under some symmetry assumptions, we establish existence of one positive and multiple nodal solutions to the Yamabe-type equation $$-div_{g}(a\nabla…
We present precise values of electric polarizabilities for the ground state of Zn due to second-order dipole and quadrupole interactions, and due to third-order dipole-quadrupole interactions. These quantities are evaluated in the linear…
A generalization of the Chern-Simons-CP(1) model is considered by introducing a nonstandard kinetic term. For a particular case, of this nonstandard kinetic term, we show that the model support self-dual Bogomolnyi equations. The BPS energy…
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…
An implementation of the coupled-cluster single- and double excitations (CCSD) method on two-dimensional quantum dots is presented. Advantages and limitations are studied through comparison with other high accuracy approaches for two to…
The electrostatic potential of a highly charged disc (clay platelet) in an electrolyte is investigated in detail. The corresponding non-linear Poisson-Boltzmann (PB) equation is solved numerically, and we show that the far-field behaviour…
For quantum meta-stable problems with three particles, the $^{6}$Be and $^{16}$Ne nuclei as two-proton ($2p$) emitters provide a testing field. Considering the complexity of many-body meta-stable systems, a tractable solver has been on…