Related papers: Solving one-body ensemble N-representability probl…
We present an explicit closed-form formula for the vertices of the classical cut polytope $\operatorname{CUT}(n)$, defined as the convex hull of cut vectors of the complete graph $K_n$. Our derivation proceeds via a related polytope,…
Group theoretic and graphical techniques are used to derive the N-body wave function for a system of identical bosons with general interactions through first-order in a perturbation approach. This method is based on the maximal symmetry…
Based on a generalization of Hohenberg-Kohn's theorem, we propose a ground state theory for bosonic quantum systems. Since it involves the one-particle reduced density matrix $\gamma$ as a natural variable but still recovers quantum…
Consider $n$ points $X_1,\ldots,X_n$ in $\mathbb R^d$ and denote their convex hull by $\Pi$. We prove a number of inclusion-exclusion identities for the system of convex hulls $\Pi_I:=conv(X_i\colon i\in I)$, where $I$ ranges over all…
Consideration of a classification of the number of partitions of a natural number according to the members of sub-partitions differing from unity leads to a non-recursive formula for the number of irreducible representations of the…
We develop a systematic framework for the spin adaptation of the cumulants of p-particle reduced density matrices (RDMs), with explicit constructions for p = 1 to 3. These spin-adapted cumulants enable rigorous treatment of both S_z and S^2…
A uniform parametrization for the irreducible spin representations of Weyl groups in terms of nilpotent orbits is recently achieved by Ciubotaru (2011). This paper is a generalization of this result to other real reflection groups. Let…
The Pauli operators (tensor products of Pauli matrices) provide a complete basis of operators on the Hilbert space of N qubits. We prove that the set of 4^N-1 Pauli operators may be partitioned into 2^N+1 distinct subsets, each consisting…
In practical implementations of density-functional theory, the only term where an orbital description is needed is the kinetic one. Even this term in principle depends on the density only, but its explicit form is unknown. We provide a…
Numerical simulations of self-gravitating systems are generally based on N-body codes, which solve the equations of motion of a large number of interacting particles. This approach suffers from poor statistical sampling in regions of low…
We study the problem of efficiently learning an unknown $n$-qubit unitary channel in diamond distance given query access. We present a general framework showing that if Pauli operators remain low-complexity under conjugation by a unitary,…
In this paper a new formulation of quantum dynamics of totally constrained systems is developed, in which physical quantities representing time are included as observables. In this formulation the hamiltonian constraints are imposed on a…
Wigner's method of induced representations is applied to the N=1 super-Poincare group, and by using a state corresponding to the basic vector of the little group as a Clifford vacuum we show that the spin operator of a supersymmetric point…
This paper studies projections of uniform random elements of (co)adjoint orbits of compact Lie groups. Such projections generalize several widely studied ensembles in random matrix theory, including the randomized Horn's problem, the…
The main result describes the Brauer-Nesbitt reduction of unipotent representations of a finite group of Lie type, expressing it as an explicit linear combination of the restriction of Weyl modules from the algebraic group to the group of…
We give compact extended formulations for the packing and partitioning orbitopes (with respect to the full symmetric group) described and analyzed in (Kaibel and Pfetsch, 2008). These polytopes are the convex hulls of all 0/1-matrices with…
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…
A family of optimal control problems for a single and two coupled spinning particles in the Euler-Lagrange formalism is discussed. A characteristic of such problems is that the equations controlling the system are implicit and a reduction…
We present a code-independent compact representation of one-electron wavefunctions and other volumetric data (electron density, electrostatic potential, etc.) produced by electronic-structure calculations. The compactness of the…
We study the quantum mechanical many-body problem of $N \geq 1$ non-relativistic electrons with spin interacting with their self-generated classical electromagnetic field and $K \geq 0$ static nuclei. We model the dynamics of the electrons…