Search results for "Computational physics"
showing 10 items of 725 documents
DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings
2021
We present a derivation and efficient implementation of the formally complete analytic second derivatives for the domain-based local pair natural orbital second order Møller–Plesset perturbation theory (MP2) method, applicable to electric or magnetic field-response properties but not yet to harmonic frequencies. We also discuss the occurrence and avoidance of numerical instability issues related to singular linear equation systems and near linear dependences in the projected atomic orbital domains. A series of benchmark calculations on medium-sized systems is performed to assess the effect of the local approximation on calculated nuclear magnetic resonance shieldings and the static dipole …
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
2016
Recent advances in laser technology allow us to follow electronic motion at its natural time-scale with ultra-fast time resolution, leading the way towards attosecond physics experiments of extreme precision. In this work, we assess the use of tailored pumps in order to enhance (or reduce) some given features of the probe absorption (for example, absorption in the visible range of otherwise transparent samples). This type of manipulation of the system response could be helpful for its full characterization, since it would allow us to visualize transitions that are dark when using unshaped pulses. In order to investigate these possibilities, we perform first a theoretical analysis of the non…
Analysis of the rovibrational spectrum of 13CH4 in the Octad range
2013
Abstract We have measured the infrared spectrum of methane 13 CH 4 from 1100 cm −1 (33 THz), below the fundamental range, to about 12 000 cm −1 (360 THz) in the high overtone region at temperatures ranging from 80 K to 300 K by high resolution Fourier transform infrared (FTIR) spectroscopy. With instrumental bandwidths between 0.0027 cm −1 (80 MHz) and 0.01 cm −1 (300 MHz) this provides close to Doppler-limited spectra, using the Zurich prototype spectrometer (ZP2001, Bruker 125HR) combined with a multipath collisional cooling cell. Using perturbation theory and an accurate empirically adjusted potential we have computed ro-vibrational energy levels of 13 CH 4 and 12 CH 4 in the same energy…
Efficient numerical integration of neutrino oscillations in matter
2016
A special purpose solver, based on the Magnus expansion, well suited for the integration of the linear three neutrino oscillations equations in matter is proposed. The computations are speeded up to two orders of magnitude with respect to a general numerical integrator, a fact that could smooth the way for massive numerical integration concomitant with experimental data analyses. Detailed illustrations about numerical procedure and computer time costs are provided.
PROMINENCE PLASMA DIAGNOSTICS THROUGH EXTREME-ULTRAVIOLET ABSORPTION
2013
In this paper we introduce a new diagnostic technique that uses prominence EUV and UV absorption to determine the prominence plasma electron temperature and column emission measure, as well as He/H relative abundance; if a realistic assumption on the geometry of the absorbing plasma can be made, this technique can also yield the absorbing plasma electron density. This technique capitalizes on the absorption properties of Hydrogen and Helium at different wavelength ranges and temperature regimes. Several cases where this technique can be successfully applied are described. This technique works best when prominence plasmas are hotter than 15,000 K and thus it is ideally suited for rapidly hea…
Constraining the p -Mode– g -Mode Tidal Instability with GW170817
2019
We analyze the impact of a proposed tidal instability coupling p modes and g modes within neutron stars on GW170817. This nonresonant instability transfers energy from the orbit of the binary to internal modes of the stars, accelerating the gravitational-wave driven inspiral. We model the impact of this instability on the phasing of the gravitational wave signal using three parameters per star: An overall amplitude, a saturation frequency, and a spectral index. Incorporating these additional parameters, we compute the Bayes factor (lnB!pgpg) comparing our p-g model to a standard one. We find that the observed signal is consistent with waveform models that neglect p-g effects, with lnB!pgpg=…
Strong-field physics in the molecular frame
2019
XXI International Conference on Ultrafast Phenomena 2018, UP 2018, Hamburg, Germany, 15 Jul 2018 - 20 Jul 2018; The European physical journal / Web of Conferences 205, 07002 (2019). doi:10.1051/epjconf/201920507002
Control of Space-Time Trajectories of Noise-Driven Optical Extreme Events in Metamaterial Waveguides
2019
Metamaterials offer the potential to precisely manipulate electromagnetic wave propagation in ways that cannot be achieved with materials found in nature. The formation and propagation of optical spatial solitons in metamaterials has been already investigated [1]. Here we report the theoretical and numerical investigations on temporal-spectral dynamics of nonlinear extreme events arising from the initial noise-perturbed plane wave in metamaterial waveguides. A typical waveguide structure used here is a planar structure with a metamaterial core and a part of the structure, in the form of the substrate, is replaced with a magnetooptic material. We assume that the core material is isotropic an…
ESTIMATING SMALL ANGULAR SCALE COSMIC MICROWAVE BACKGROUND ANISOTROPY WITH HIGH-RESOLUTIONN-BODY SIMULATIONS: WEAK LENSING
2010
We estimate the impact of weak lensing by strongly nonlinear cosmological structures on the cosmic microwave background. Accurate calculation of large l multipoles requires N-body simulations and ray-tracing schemes with both high spatial and temporal resolution. To this end, we have developed a new code that combines a gravitational Adaptive Particle-Particle, Particle-Mesh solver with a weak-lensing evaluation routine. The lensing deviations are evaluated while structure evolves during the simulation so that all evolution steps—rather than just a few outputs—are used in the lensing computations. The new code also includes a ray-tracing procedure that avoids periodicity effects in a univer…
The First Terrestrial Electron Beam Observed by the Atmosphere‐Space Interactions Monitor
2019
We report the first Terrestrial Electron Beam detected by the Atmosphere‐Space Interactions Monitor. It happened on 16 September 2018. The Atmosphere‐Space Interactions Monitor Modular X and Gamma ray Sensor recorded a 2 ms long event, with a softer spectrum than typically recorded for Terrestrial Gamma ray Flashes (TGFs). The lightning discharge associated to this event was found in the World Wide Lightning Location Network data, close to the northern footpoint of the magnetic field line that intercepts the International Space Station location. Imaging from a GOES‐R geostationary satellite shows that the source TGF was produced close to an overshooting top of a thunderstorm. Monte‐Carlo si…