Related papers: Time-dependent coupled cluster with orthogonal ada…
We propose a unified four-dimensional (4D) spatiotemporal formulation for time-dependent convection-diffusion problems that preserves underlying physical structures. By treating time as an additional space-like coordinate, the evolution…
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…
A new alternate method for evaluating linear response theory is formally developed, and results are presented. This method involves the time-evolution of the system using TDHF and is constructed directly on top of a static Hartree-Fock…
The multiconfigurational time-dependent Hartree method (MCTDH) [Chem. Phys. Lett. {\bf 165}, 73 (1990); J. Chem. Phys. {\bf 97}, 3199 (1992)] is celebrating nowadays entering its third decade of tackling numerically-exactly a broad range of…
In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favourable…
We present the implementation of quadratic response theory based upon the relativistic equation-of-motion coupled cluster method. We showcase our implementation, whose generality allows us to consider both time-dependent and…
Electrodynamical coupled cluster (CC) methodologies have been formulated employing standard QED Hamiltonian that is written in Coulomb gauge while using the DF and the MCDF pictures of the matter field for closed-shell and open-shell cases…
A semiclassical model based on the solution of the Vlasov equation for finite systems with a sharp moving surface has been used to study the isoscalar quadrupole and octupole collective modes in heavy spherical nuclei. Within this model, a…
This paper extends the application of the stochastic variational method to noncentral interactions. Several examples are presented for three- and four-nucleon systems with realistic nuclear forces. The correlated Gaussians easily cope with…
We discuss the calculation of collective excitations in atomic clusters using the time-dependent local density approximation. In principle there are many formulations of the TDLDA, but we have found that a particularly efficient method for…
In the frame of the algebraic Riemann Rotational Model one computes the longitudinal, transverse and toroidal multipoles corresponding to the excitations of low-lying levels in the ground state band of several even-even nuclei by inelastic…
Spatial convolutions are extensively used in numerous deep video models. It fundamentally assumes spatio-temporal invariance, i.e., using shared weights for every location in different frames. This work presents Temporally-Adaptive…
We formulate equations of time-dependent density functional theory (TDDFT) in the co-moving Lagrangian reference frame. The main advantage of the Lagrangian description of many-body dynamics is that in the co-moving frame the current…
We derive large-amplitude collective equations of motion from the variational principle for the time-dependent Schroedinger equation. These equations reduce to the well-known diabatic formulas for vibrational frequencies in the small…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
We study the convergence of cluster and virial expansions for systems of particles subject to positive two-body interactions. Our results strengthen and generalize existing lower bounds on the radii of convergence and on the value of the…
Deep learning potentials for complex many-body systems often face challenges of insufficient accuracy and a lack of physical realism. This paper proposes an "Observable-Constrained Variational Framework" (OCVF), a general top-down…
In multivariate longitudinal studies, associations between outcomes often exhibit time-varying and individual level heterogeneity, motivating the modeling of correlations as an explicit function of time and covariates. However, most…
A fundamental description of time can be consistent not only with the usual monotonic behavior but also with a periodic physical clock variable, coupled to the degrees of freedom of a system evolving in time. Generically, one would in fact…
An approximate approach to quantum vibrational dynamics, "Brownian Chain Molecular Dynamics (BCMD)", is proposed to alleviate the chain resonance and curvature problems in the imaginary time-based path integral (PI) simulation. Here the…