Related papers: Three Lagrangians for the complete-active space co…
Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…
The two-dimensional extension of the one-dimensional PDM-Lagrangians and their nonlocal point transformation mappings into constant unit-mass exactly solvable Lagrangians is introduced. The conditions on the related two-dimensional…
The coupling of a pseudo-scalar Higgs boson to gluons is mediated through a heavy quark loop. In the limit of large quark mass, it is described by an effective Lagrangian that only admits light degrees of freedom. In this effective theory,…
We consider the variational complex on infinite jet space and the complex of variational derivatives for Lagrangians of multidimensional paths and study relations between them. The discussion of the variational (bi)complex is set up in…
In this paper we outline the extension of recently introduced the sub-system embedding sub-algebras coupled cluster (SES-CC) formalism to the unitary CC formalism. In analogy to the standard single-reference SES-CC formalism, its unitary CC…
A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…
The dynamical formulation of the optimal transport can be extended through various choices of the underlying geometry (kinetic energy), and the regularization of density paths (potential energy). These combinations yield different…
Variational integrators applied to degenerate Lagrangians that are linear in the velocities are two-step methods. The system of modified equations for a two-step method consists of the principal modified equation and one additional equation…
In this paper, we extend the collinear superspace formalism to include the full range of $\mathcal{N} = 1$ supersymmetric interactions. Building on the effective field theory rules developed in a companion paper - "Navigating Collinear…
We develop algebraic geometry for coupled cluster (CC) theory of quantum many-body systems. The high-dimensional eigenvalue problems that encode the electronic Schr\"odinger equation are approximated by a hierarchy of polynomial systems at…
The problems that are connected with Lagrangians which depend on higher order derivatives (namely additional degrees of freedom, unbound energy from below, etc.) are absent if effective Lagrangians are considered because the equations of…
A general quantum many-body theory in configuration space is developed by extending the traditional coupled cluter method (CCM) to a variational formalism. Two independent sets of distribution functions are introduced to evaluate the…
Five time-dependent orbital optimized coupled-cluster (TD-ooCC) methods, of which four can converge to the complete active space self-consistent-field method, are presented for fermion-mixtures with arbitrary fermion kinds and numbers.…
Recent experiments of photon-nucleon and meson-nucleon scatterings have accumulated a lot of data for various meson production processes. One of the purposes of those experiments is to search for the missing resonances which are not…
We develop a method for systematically constructing Lagrangian functions for dissipative mechanical, electrical and, mechatronic systems. We derive the equations of motion for some typical mechatronic systems using deterministic principles…
We consider evaluation of matrix elements with the coupled-cluster method. Such calculations formally involve infinite number of terms and we devise a method of partial summation (dressing) of the resulting series. Our formalism is built…
One of the difficulties encountered when studying physical theories in discrete space-time is that of describing the underlying continuous symmetries (like Lorentz, or Galilei invariance). One of the ways of addressing this difficulty is to…
We introduce a novel class of Bayesian mixtures for normal linear regression models which incorporates a further Gaussian random component for the distribution of the predictor variables. The proposed cluster-weighted model aims to…
It has previously been demonstrated that the mesonic fields in chiral Lagrangians can be related to the quark-level operators of QCD sum-rules via energy-independent (constant) scale factor matrices constrained by chiral symmetry. This…
The development of a novel exact two-component (X2C) scheme with the inclusion of the picture-change correction for the fluctuation potential, the X2Ccorr scheme, is reported, hereby establishing a hierarchy of X2C schemes with systematic…