Spectral-based Propagation Schemes for Time-Dependent Quantum Systems with Application to Carbon Nanotubes

Effective modeling and numerical spectral-based propagation schemes are proposed for addressing the challenges in time-dependent quantum simulations of systems ranging from atoms, molecules, and nanostructures to emerging nanoelectronic devices. While time-dependent Hamiltonian problems can be formally solved by propagating the solutions along tiny simulation time steps, a direct numerical treatment is often considered too computationally demanding. In this paper, however, we propose to go beyond these limitations by introducing high-performance numerical propagation schemes to compute the solution of the time-ordered evolution operator. In addition to the direct Hamiltonian diagonalizations that can be efficiently performed using the new eigenvalue solver FEAST, we have designed a Gaussian propagation scheme and a basis transformed propagation scheme (BTPS) which allow to reduce considerably the simulation times needed by time intervals. It is outlined that BTPS offers the best computational efficiency allowing new perspectives in time-dependent simulations. Finally, these numerical schemes are applied to study the AC response of a (5,5) carbon nanotube within a 3D real-space mesh framework

Toda-like (0,2) mirrors to products of projective spaces

One of the open problems in understanding (0,2) mirror symmetry concerns the construction of Toda-like Landau-Ginzburg mirrors to (0,2) theories on Fano spaces. In this paper, we begin to fill this gap by making an ansatz for (0,2) Toda-like theories mirror to (0,2) supersymmetric nonlinear sigma models on products of projective spaces, with deformations of the tangent bundle, generalizing a special case previously worked out for P1xP1. We check this ansatz by matching correlation functions of the B/2-twisted Toda-like theories to correlation functions of corresponding A/2-twisted nonlinear sigma models, computed primarily using localization techniques. These (0,2) Landau-Ginzburg models admit redundancies, which can lend themselves to multiple distinct-looking representatives of the same physics, which we discuss.Comment: 35 pages, LaTeX; v2: typos fixed; v3: more typos fixe

Lattice Wess-Zumino model with Ginsparg-Wilson fermions: One-loop results and GPU benchmarks

We numerically evaluate the one-loop counterterms for the four-dimensional Wess-Zumino model formulated on the lattice using Ginsparg-Wilson fermions of the overlap (Neuberger) variety, together with an auxiliary fermion (plus superpartners), such that a lattice version of $U(1)_R$ symmetry is exactly preserved in the limit of vanishing bare mass. We confirm previous findings by other authors that at one loop there is no renormalization of the superpotential in the lattice theory, but that there is a mismatch in the wavefunction renormalization of the auxiliary field. We study the range of the Dirac operator that results when the auxiliary fermion is integrated out, and show that localization does occur, but that it is less pronounced than the exponential localization of the overlap operator. We also present preliminary simulation results for this model, and outline a strategy for nonperturbative improvement of the lattice supercurrent through measurements of supersymmetry Ward identities. Related to this, some benchmarks for our graphics processing unit code are provided. Our simulation results find a nearly vanishing vacuum expectation value for the auxiliary field, consistent with approximate supersymmetry at weak coupling.Comment: 35 pages, 5 figures, v2. refs. added, range of operator discusse