Related papers: Third-order density-functional perturbation theory…
The diffusion of large databases collecting different kind of material properties from high-throughput density functional theory calculations has opened new paths in the study of materials science thanks to data mining and machine learning…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
We study refined topological string theory in the presence of orientifolds by counting second-quantized BPS states in M-theory. This leads us to propose a new integrality condition for both refined and unrefined topological strings when…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
Modern applications of Covariant Density Functional Theory (CDFT) are discussed. First we show a systematic investigation of fission barriers in actinide nuclei within constraint relativistic mean field theory allowing for triaxial…
We introduce a novel class of higher-order, three-mode states called K-dimensional trio coherent states. We study their mathematical properties and prove that they form a complete set in a truncated Fock space. We also study their physical…
We investigate the anharmonic phonon scattering across a weakly interacting interface by developing a quantum mechanics-based theory. We find that the contribution from anharmonic three-phonon scatterings to interfacial thermal conductance…
We investigate the perturbative renormalisation of deformed conformal field theories from the Hamiltonian perspective. We discuss the relation with conformal perturbation theory, to which we provide an explicit match up to third order in…
We broaden the scope of quantum field theory by introducing a general class of discrete gauge theories that realize either topological order or fracton behavior across dimensions. We start from translation-invariant systems endowed with…
We introduce N=1 supersymmetric generalization of the mechanical system describing a particle with fractional spin in D=1+2 dimensions and being classically equivalent to the formulation based on the Dirac monopole two-form. The model…
The Lieb-Schultz-Mattis theorem and its higher dimensional generalizations by Oshikawa and Hastings require that translationally invariant 2D spin systems with a half-integer spin per unit cell must either have a continuum of low energy…
Making use of generalized Eliashberg equations, we describe the Altshuler-Aronov (AA) effect and superconductivity on equal footing. We derive explicit expressions for the Coulomb pseudopotential in 3D, taking into account also the…
The large $k$ asymptotics (perturbation series) for integrals of the form $\int_{\cal F}\mu e^{i k S}$, where $\mu$ is a smooth top form and $S$ is a smooth function on a manifold ${\cal F}$, both of which are invariant under the action of…
Self-energy effects of Raman phonons in isotopically disordered semiconductors are deduced by perturbation theory and compared to experimental data. In contrast to the acoustic frequency region, higher-order terms contribute significantly…
We study the marginal deformation of the symmetric-product orbifold theory Sym$_N(T^4)$ which corresponds to introducing a small amount of Ramond-Ramond flux into the dual $AdS_3\times S^3\times T^4$ background. Already at first order in…
We propose a new partially topological theory in three dimensions which couples Chern-Simons theory to matter. The 3-manifolds needed for this construction admit transverse holomorphic foliation (THF). The theory depends only on the choice…
The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory is weakened by the use of model Hamiltonians that are based…
An approach to compute the anharmonic peaks of the phonon dispersion curves through the ab initio calculated Hellmann-Feynman forces from a series of supercells with realistic atomic displacements of all atoms, which correspond to a given…
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…
Novel low-band-gap copolymer oligomers are proposed on the basis of density functional theory (DFT) quantum chemical calculations of photophysical properties. These molecules have an electron donor-accepter (D-A) architecture involving…