Related papers: Molecular orbitals and strong-field approximation
We study the weak convergence (in the high-frequency limit) of the parameter estimators of power spectrum coefficients associated with Gaussian, spherical and isotropic random fields. In particular, we introduce a Whittle-type approximate…
We consider the problem of estimating the density of observations taking values in classical or nonclassical spaces such as manifolds and more general metric spaces. Our setting is quite general but also sufficiently rich in allowing the…
We extend the recently-developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric response of periodic insulators. Working in the independent-particle framework, we find…
For a reductive group $G$ over a non-archimedean local field, with some assumptions on (residue) characteristic we give an method to compute certain orbital integrals using a method close to that of Goresky-Kottiwitz-MacPherson but in a…
The stellar velocity fields of elliptical galaxies hold clues to their dynamical structure and origin. The construction of velocity field models is greatly simplified by assuming an approximate geometrical form for the streamlines of the…
A conformal gauge theory is used to describe and unify myriad electromechanical and magnetomechanical coupling effects observed in solid continua. Using a space-time pseudo-Riemannian metric in a finite-deformation setup and exploiting the…
We study a simple analytic solution to Einstein's field equations describing a thin spherical shell consisting of collisionless particles in circular orbit. We then apply two independent criteria for the identification of circular orbits,…
Bessel beams are studied within the general framework of quantum optics. The two modes of the electromagnetic field are quantized and the basic dynamical operators are identified. The algebra of these operators is analyzed in detail; it is…
The intersection of Quantum Chemistry and Quantum Computing has led to significant advancements in understanding the potential of using quantum devices for the efficient calculation of molecular energies. Simultaneously, this intersection…
Exact diagonalization results are reported for the lowest rotational band of N=6 electrons in strong magnetic fields in the range of high angular momenta 70 <= L <= 140 (covering the corresponding range of fractional filling factors 1/5 >=…
The quantum superposition principle has been extensively utilized in the quantum mechanical description of the bonding phenomenon. It explains the emergence of delocalized molecular orbitals and provides a recipe for the construction of…
Highly accurate models of the gravitational-wave signal from coalescing compact binaries are built by completing analytical computations of the binary dynamics with non-perturbative information from numerical relativity (NR) simulations. In…
Canonical analysis leading to formal quantisation of the higher derivative theories are considered. The first order formalism is adopted where all the configuration space variables along with their higher time derivatives are considered to…
In this paper, we address the challenge of obtaining a comprehensive and symmetric representation of point particle groups, such as atoms in a molecule, which is crucial in physics and theoretical chemistry. The problem has become even more…
Cohomological techniques within the Batalin-Vilkovisky (BV) extension of the Becchi-Rouet-Stora-Tyutin (BRST) formalism have proved invaluable for classifying consistent deformations of gauge theories. In this work we investigate the…
Fully numerical mesh solutions of 2D and 3D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of…
Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximations that often fail to capture the complexity of many-body…
The nuclear many-body problem for medium-mass systems is commonly addressed using wave-function expansion methods that build upon a second-quantized representation of many-body operators with respect to a chosen computational basis. While…
The nature of boundedness of orbits of a particle moving in a central force field is investigated. General conditions for circular orbits and their stability are discussed. In a bounded central field orbit, a particle moves clockwise or…
Majorana's arbitrary spin theory is considered in a hyperbolic complex representation. The underlying differential equation is embedded into the gauge field theories of Sachs and Carmeli. In particular, the approach of Sachs can serve as a…