Related papers: The DIRAC code for relativistic molecular calculat…
The Dirac equation with Lorentz violation involves additional coefficients and yields a fourth-order polynomial that must be solved to yield the dispersion relation. The conventional method of taking the determinant of $4\times 4$ matrices…
We study the discretization of (almost-)Dirac structures using the notion of retraction and discretization maps on manifolds. Additionally, we apply the proposed discretization techniques to obtain numerical integrators for port-Hamiltonian…
We are looking at a Dirac electron in the electromagnetic field of a plane monochrome polarized X-ray. It will be attempted to link the terms of a certain (joint) asymptotic expansion of the Heisenberg propagations of momentum- and…
A Dirac shell model is developed for the study of baryon spectroscopy, taking into account the most relevant results of the quark-diquark models. The lack of translational invariance of the shell model is avoided, in the present work, by…
The semiclassical regime of 2D static Dirac matter is obtained from the Dirac equation in curved space-time. To simplify the formulation, the Cartesian space-time geometry parametrization is transformed to isothermal coordinates using…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
We analyze a class of coupled quantum systems whose dynamics can be understood via two uncoupled, lower-dimensional quantum settings with auxiliary interactions. The general reduction scheme, based on algebraic properties of the potential…
The multiconfiguration Dirac-Fock (MCDF) model uses a linear combination of Slater determinants to approximate the electronic $N$-body wave function of a relativistic molecular system, resulting in a coupled system of nonlinear eigenvalue…
Dirac structures are geometric objects that generalize Poisson structures and presymplectic structures on manifolds. They naturally appear in the formulation of constrained mechanical systems and play an essential role in structuring a…
The primary dynamical Dirac relativistic effects can only be seen in hydrogenic systems without the complications introduced by electron-electron interactions in many-electron systems. They are known to be the contraction-towards-the-origin…
We propose a novel scheme for efficient Dirac mixture modeling of distributions on unit hyperspheres. A so-called hyperspherical localized cumulative distribution (HLCD) is introduced as a local and smooth characterization of the underlying…
Dirac materials have been a unique solid state platform for exploring relativistic quantum phenomena including supercritical atomic collapse, which leads to emergent discrete scale symmetry and logperiodic quantum oscillations. In the…
We revive an approach to solve the Dirac equation originally proposed by Kutzelnigg which makes use of the squared Dirac operator $\hat{\mathfrak{D}}^{2}$. This approach holds the promise to avoid the negative energy solution because the…
The similarity renormalization group is used to transform a general Dirac Hamiltonian into diagonal form. The diagonal Dirac operator consists of the nonrelativistic term, the spin-orbit term, the dynamical term, and the relativistic…
In the $\varepsilon$-regime of chiral perturbation theory the spectral correlations of the Euclidean QCD Dirac operator close to the origin can be computed using random matrix theory. To incorporate the effect of temperature, a random…
We analyze the smallest Dirac eigenvalues by formulating an effective theory for the QCD Dirac spectrum. We find that in a domain where the kinetic term of the effective theory can be ignored, the Dirac eigenvalues are distributed according…
The Rational Hybrid Monte Carlo (RHMC) algorithm extends the Hybrid Monte Carlo algorithm for lattice QCD simulations to situations involving fractional powers of the determinant of the quadratic Dirac operator. This avoids the updating…
We consider the three-dimensional Dirac equation in spherical coordinates with coupling to static electromagnetic potential. The space components of the potential have angular (non-central) dependence such that the Dirac equation is…
The Dirac operator provides a unified framework for processing signals defined over different order topological domains, such as node and edge signals. Its eigenmodes define a spectral representation that inherently captures cross-domain…
Electrons in materials containing heavy elements are fundamentally relativistic and should in principle be described using the Dirac equation. However, the current standard for treatment of electrons in such materials involves density…