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A systematic search for superintegrable quantum Hamiltonians describing the interaction between two particles with spin 0 and 1/2, is performed. We restrict to integrals of motion that are first-order (matrix) polynomials in the components…
The R-matrix formalism for the construction of integrable systems with infinitely many degrees of freedom is reviewed. Its application to Poisson, noncommutative and loop algebras as well as central extension procedure are presented. The…
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…
We show how to perform accurate, nonperturbative and controlled calculations in quantum field theory in d dimensions. We use the Truncated Conformal Space Approach (TCSA), a Hamiltonian method which exploits the conformal structure of the…
In this paper, the Lorentz covariance of algorithms is introduced. Under Lorentz transformation, both the form and performance of a Lorentz covariant algorithm are invariant. To acquire the advantages of symplectic algorithms and Lorentz…
We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. In this theory, the coupled-cluster operators in the electronic sector are defined as tensor operators of…
Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a…
Atomic-scale modeling of magnetic materials requires precise treatment of coupled spin-lattice degrees of freedom (DOFs). Traditional spin-lattice dynamics (SLD), employing Newtonian equation for lattice evolution and the…
This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…
A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration,…
Symmetry is at the heart of modern physics. Phases of matter are classified by symmetry breaking, topological phases are characterized by non-local symmetries, and point group symmetries are critical to our understanding of crystalline…
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCSD) theory for static and dynamic polarizabilities of atoms…
Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…
Relativistic geometrical action for a quantum particle in the superspace is analyzed from theoretical group point of view. To this end an alternative technique of quantization outlined by the authors in a previous work and that is based in…
Analytical nuclear gradients for fully internally contracted complete active space second-order perturbation theory (CASPT2) are reported. This implementation has been realized by an automated code generator that can handle spin-free…
The ordinary Landau problem consists of describing a charged particle in time-independent magnetic field. In the present case the problem is generalized onto time-dependent uniform electric fields with time-dependent mass and harmonic…
Within CPT-symmetric quantum mechanics the most elementary differential form of the charge operator C is assumed. A closed-form integrability of the related coupled differential self-consistency conditions and a natural embedding of the…
We present a dynamical framework for modeling the motion of point-like charged particles, with or without mass, in general external electromagnetic fields. A key feature of this formulation is the treatment of time coordinate as a dynamical…
Manipulating Hamiltonians governing physical systems has found a broad range of applications, from quantum chemistry to semiconductor design. In this work, we provide a new way of manipulating Hamiltonians, by transforming their eigenvalues…
We consider solutions of the $2\times 2$ matrix Hamiltonian of physical systems within the context of the asymptotic iteration method. Our technique is based on transformation of the associated Hamiltonian in the form of the first order…