相关论文: Multiple solutions of CCD equations for PPP model …
A method for solving cyclic block three-diagonal systems of equations is generalized for solving a block cyclic penta-diagonal system of equations. Introducing a special form of two new variables the original system is split into three…
In this work, we derive working equations for the Linear Response pair Coupled Cluster Doubles (LR-pCCD) ansatz and its extension to singles (S), LR-pCCD+S. These methods allow us to compute electronic excitation energies and transition…
The envelope theory is a method to easily obtain approximate, but reliable, solutions for some quantum many-body problems. Quite general Hamiltonians can be considered for systems composed of an arbitrary number of different particles in…
There is a need for covariant solutions of bound state equations in order to construct realistic QCD based models of mesons and baryons. Furthermore, we ideally need to know the structure of these bound states in all kinematical regimes,…
The pair coherent state (PCS) is a theoretical extension of the Glauber coherent state to two harmonic oscillators. It is an interesting class of non-Gaussian continuous-variable entangled state and is also at the heart of a promising…
We employ four-component spinor relativistic equation-of-motion coupled-cluster (EOMCC) method within the single- and double- excitation approximation to calculate the single ionization potentials (IPs) and double ionization potentials…
Relativistic coupled-cluster single-double approximation is used to calculate positron-atom bound states. The method is tested on closed-shell atoms such as Be, Mg, Ca, Zn, Cd, and Hg where a number of accurate calculations is available. It…
We discuss a numerical scheme to solve the continuum Kardar-Parisi-Zhang equation in generic spatial dimensions. It is based on a momentum-space discretization of the continuum equation and on a pseudo-spectral approximation of the…
A three-component nonlinear Schrodinger-type model which describes spinor Bose-Einstein condensate (BEC) is considered. This model is integrable by the inverse scattering method and using Zakharov-Shabat dressing method we obtain three…
The problem of orbital relaxation in computational core-hole spectroscopies, including x-ray absorption and x-ray photoionization, has long plagued linear response approaches, including equation-of-motion coupled cluster with singles and…
We identify all possible classes of solutions for two-component Bose-Einstein condensates (BECs) within the Thomas-Fermi (TF) approximation, and check these results against numerical simulations of the coupled Gross-Pitaevskii equations…
In the present paper, integrable semi-discrete and fully discrete analogues of a coupled short pulse (CSP) equation are constructed. The key of the construction is the bilinear forms and determinant structure of solutions of the CSP…
We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the local fragment…
We present a detailed derivation and discussion of cavity Born-Oppenheimer coupled cluster (CBO-CC) theory and address cavity-modified electron correlation in the vibrational strong coupling regime. Methodologically, we combine the recently…
The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…
We investigate the numerical stability of time-dependent coupled-cluster theory for many-electron dynamics in intense laser pulses, comparing two coupled-cluster formulations with full configuration interaction theory. Our numerical…
We investigate the structural and thermodynamic properties of a new class of patchy colloids, referred to as inverse patchy colloids (IPCs) in their fluid phase via both theoretical methods and simulations. IPCs are nano- or micro- meter…
CFD is a ubiquitous technique central to much of computational simulation such as that required by aircraft design. Solving of the Poisson equation occurs frequently in CFD and there are a number of possible approaches one may leverage. The…
The coupled-mode theory is developed for description of the nonlinear wave dynamics in binary optical lattices. The obtained equations of motion accurately describe nonlinear wave dynamics close to the band edges and in the gap of the…
The particle number projected BCS (PBCS) approximation is tested against the exact solution of the SO(5) Richardson-Gaudin model for isovector pairing in a system of non-degenerate single particle orbits. Two isovector PBCS wave functions…