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Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformations, ranging from electronic excitations, to open-shell…

Chemical Physics · Physics 2024-05-07 Kalman Szenes , Maximilian Moerchen , Paul Fischill , Markus Reiher

Covergent eigensolutions of the Dirac Equation for a relativistic electron in an external Coulomb potential are obtained using the Lanczos Algorithm. A tri-diagonal matrix representation of the Dirac Hamiltonian operator is constructed…

Mathematical Physics · Physics 2007-06-18 R. C. Andrew , H. G. Miller , G. D. Yen

We present a method for the calculation of electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the…

Materials Science · Physics 2011-03-09 Nenad Vukmirović , Lin-Wang Wang

We take an order-theoretic approach to circuit (string diagram) syntax, treating a circuit as a partial order with additional input-output structure. We define morphisms between circuits and prove a factorisation theorem showing that these…

Quantum Physics · Physics 2025-07-09 Tein van der Lugt

Adaptive structures are equipped with sensors and actuators to actively counteract external loads such as wind. This can significantly reduce resource consumption and emissions during the life cycle compared to conventional structures. A…

Systems and Control · Electrical Eng. & Systems 2023-12-11 Manuel Schaller , Amelie Zeller , Michael Böhm , Oliver Sawodny , Cristina Tarín , Karl Worthmann

We introduce the first minimal and complete equational theory for quantum circuits. Hence, we show that any true equation on quantum circuits can be derived from simple rules, all of them being standard except a novel but intuitive one…

Quantum Physics · Physics 2024-05-20 Alexandre Clément , Noé Delorme , Simon Perdrix

We resurrect a standard construction of analytical mechanics dating from the last century. The technique allows one to pass from any dynamical system whose first order evolution equations are known, and whose bracket algebra is not…

General Relativity and Quantum Cosmology · Physics 2010-04-06 J. A. Rubio , R. P. Woodard

The fundamental solution of the Dirac equation for an electron in an electromagnetic field with harmonic dependence on space-time coordinates is obtained. The field is composed of three standing plane harmonic waves with mutually orthogonal…

Quantum Physics · Physics 2015-02-11 G. N. Borzdov

We introduce methods for deriving analytic solutions from differential-algebraic systems of equations (DAEs), as well as methods for deriving governing equations for analytic characterization which is currently limited to very small systems…

General Mathematics · Mathematics 2021-02-05 Samiya A Alkhairy

This paper analyzes the properties of the solutions of the generalized continuous algebraic Riccati equation from a geometric perspective. This analysis reveals the presence of a subspace that may provide an appropriate degree of freedom to…

Optimization and Control · Mathematics 2017-06-20 Lorenzo Ntogramatzidis , Augusto Ferrante

We consider linear port-Hamiltonian differential-algebraic equations (pH-DAEs). Inspired by the geometric approach of Maschke and van der Schaft and the linear algebraic approach of Mehl, Mehrmann and Wojtylak, we present another view by…

Functional Analysis · Mathematics 2020-10-06 Hannes Gernandt , Frédéric Enrico Haller , Timo Reis

Simple constructions and protocols are demonstrated to allow the implementation of universal quantum computation on an arbitrarily large quantum system by controlling a fixed number of spins, vastly reducing the engineering requirements in…

Quantum Physics · Physics 2009-04-23 Alastair Kay

In this review paper, we consider three kinds of systems of differential equations, which are relevant in physics, control theory and other applications in engineering and applied mathematics; namely: Hamilton equations, singular…

Mathematical Physics · Physics 2016-04-11 Xavier Gràcia , Miguel C. Muñoz-Lecanda , Narciso Román-Roy

We extend the port-Hamiltonian framework defined with respect to a Lagrangian submanifold and a Dirac structure by augmenting the Lagrangian submanifold with the space of external variables. The new pair of conjugated variables is called…

Optimization and Control · Mathematics 2024-05-03 Kaja Krhac , Bernhard Maschke , Arjan van der Schaft

The electronic structure of an atom with Z <= 137 can be described by the Dirac equation with the Coulomb field of a point charge Ze. It was believed that the Dirac equation with Z > 137 is inconsistent and physically meaningless because…

Mathematical Physics · Physics 2012-05-02 D. M. Gitman , A. D. Levin , I. V. Tyutin , B. L. Voronov

Port-Hamiltonian (pH) systems are a very important modeling tool in almost all areas of systems and control, in particular in network based model of multi-physics multi-scale systems. They lead to remarkably robust models that can be easily…

Optimization and Control · Mathematics 2019-03-19 Karim Cherifi , Volker Mehrmann , Kamel Hariche

The relative equilibria of a symmetric Hamiltonian dynamical system are the critical points of the so-called augmented Hamiltonian. The underlying geometric structure of the system is used to decompose the critical point equations and…

Differential Geometry · Mathematics 2007-05-23 Pascal Chossat , Debra Lewis , Juan-Pablo Ortega , Tudor S. Ratiu

We consider existence and stability of an almost periodic solution of the quasilinear system of differential equations with piecewise constant argument of generalized type. The associated linear homogeneous system satisfies exponential…

Dynamical Systems · Mathematics 2016-09-07 M. U. Akhmet

The control algebraic Riccati equation is studied for a class of systems with unbounded control and observation operators. Using a dichotomy property of the associated Hamiltonian operator matrix, two invariant graph subspaces are…

Functional Analysis · Mathematics 2019-07-15 Christian Wyss

In this paper, we investigate solvable structures associated to Hamiltonian equations. For a completely integrable Hamiltonian system with $n$ degrees of freedom, we construct a canonical solvable structure consisting of $2n$ Hamiltonian…

Mathematical Physics · Physics 2025-04-04 Sasa Kresic-Juric , Concepcion Muriel , Adrian Ruiz