Related papers: A computer code for calculations in the algebraic …
The alpha-cluster states of $^{22}$Ne are studied within the framework of the semimicroscopic algebraic cluster model (SACM). The band structure, energy spectrum as well as E2 and E1 transitions are calculated and are compared with the…
Statistics and Optimization are foundational to modern Machine Learning. Here, we propose an alternative foundation based on Abstract Algebra, with mathematics that facilitates the analysis of learning. In this approach, the goal of the…
Some explicit algorithms for higher order symplectic integration of a large class of Hamilton's equations have recently been discussed by Mushtaq \emph{et. al}. Here we present a Python program for automatic numerical implementation of…
We show that the notion of generalized Berry phase i.e., non-abelian holonomy, can be used for enabling quantum computation. The computational space is realized by a $n$-fold degenerate eigenspace of a family of Hamiltonians parametrized by…
The Boolean product $R = P \cdot Q$ of two $\{ 0, 1\} \; m \times m \; $ matrices is $$R(j,k) = 1 \; \mathrm{\ IF\ for\ some\ } \; t \; \,P(j, t) = Q(t, k) = 1\; \; \mathrm{ELSE\ } \, R(j, k) = 0. $$ The near-optimal design reduces the…
Doping compounds can be considered a perturbation to the nuclear charges in a molecular Hamiltonian. Expansions of this perturbation in a Taylor series, i.e. quantum alchemy, has been used in literature to assess millions of derivative…
Quantum algorithms are sequences of abstract operations, performed on non-existent computers. They are in obvious need of categorical semantics. We present some steps in this direction, following earlier contributions of Abramsky, Coecke…
Studies in thermodynamics often require the reduction of some first or second order partial derivatives in terms of a smaller basic set. A simple algorithm to perform such a reduction is presented here, together with a review of earlier…
An approximate relativistic two-component Hamiltonian for use in molecular electronic structure calculations is derived in the form of a sum of fixed atom-centered kinetic and spin-orbit operators added to the non-relativistic Hamiltonian.…
Cylindrical Algebraic Decomposition (CAD) is an important tool within computational real algebraic geometry, capable of solving many problems for polynomial systems over the reals. It has long been studied by the Symbolic Computation…
Collective motion is a manifestation of emergent phenomena in medium-heavy and heavy nuclei. A relatively large number of constituent nucleons contribute coherently to nuclear excitations (vibrations, rotations) that are characterized by…
One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formidable challenge to any simulation…
We present the AMBiT software package for general atomic structure calculations. This software implements particle-hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic…
We consider quantum computational models defined via a Lie-algebraic theory. In these models, specified initial states are acted on by Lie-algebraic quantum gates and the expectation values of Lie algebra elements are measured at the end.…
A distribution matcher (DM) encodes a binary input data sequence into a sequence of symbols (codeword) with desired target probability distribution. The set of the output codewords constitutes a codebook (or code) of a DM.…
The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…
We apply the coupled cluster method (CCM) to the Hamiltonian version of the latticised O(4) non-linear sigma model. The method, which was initially developed for the accurate description of quantum many-body systems, gives rise to two…
Heavy computational load for solving nonconvex problems for large-scale systems or systems with real-time demands at each sample step has been recognized as one of the reasons for preventing a wider application of nonlinear model predictive…
We derive the Hamiltonian in the rotating frame for NMR quantum computing with homonucleus molecules as its computational resource. The Hamiltonian thus obtained is different from conventional Hamiltonians that appear in literature. It is…