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Photonic molecules can be used to realize complex optical energy states and modes, analogous to those found in molecules, with properties useful for applications like spectral engineering and quantum optics. It is desirable to implement…
The energy spectrum for three species of identical fermionic atoms close to a Feshbach resonance is computed by use of a nonperturbative flow equation. Already a simple truncation shows that for large scattering length $|a|$ the lowest…
Background: Deep third minima have been predicted in some non-self-consistent models to impact fission pathways of thorium and uranium isotopes. These predictions have guided the interpretation of resonances seen experimentally. On the…
We present a new chemodynamical code - Ramses-CH - for use in simulating the self-consistent evolution of chemical and hydrodynamical properties of galaxies within a fully cosmological framework. We build upon the adaptive mesh refinement…
Retrosynthesis prediction is fundamental to drug discovery and chemical synthesis, requiring the identification of reactants that can produce a target molecule. Current template-free methods struggle to capture the structural invariance…
In the ball-stick model, interatomic cohesions are considered "sticks". But enormous details and features of the "sticks" are usually oversimplified as indexed quantities or equivocated as geometry characteristics. These indexed quantities…
The present work describes the equilibrium configuration of the ozone molecule studied using the Hartree-Fock (HF), Moller-Plesset second order (MP2), Configuration interaction (CI), and Density functional theory (DFT) calculations. With…
In this study, we performed comprehensive investigations on the Raman active phonon modes in cubic bixbyite In$_2$O$_3$, an important oxide based, wide-bandgap semiconductor. Fundamental insights into the lattice dynamics are revealed, by…
We introduce a new tool - AESOPUS: Accurate Equation of State and OPacity Utility Software - for computing the equation of state and the Rosseland mean (RM) opacities of matter in the ideal gas phase. Results are given as a function of one…
A computed line list for formaldehyde, H$_2{}^{12}$C$^{16}$O, applicable to temperatures up to $T=1500$~K is presented. An empirical potential energy and {\it ab initio} dipole moment surfaces are used as the input to nuclear motion program…
Astrophysical molecular spectroscopy is an important method of searching for new physics through probing the variation of the proton-to-electron mass ratio, $\mu$, with existing constraints limiting variation to a fractional change of less…
Using the Wentzel-Kramers-Brillouin method, we derive a modified form of the Thomas-Fermi approximation to electron density. This new result enables us to calculate the details of the self-consistent ion cores, as well as the ionization…
Resonant vibrational-excitation cross sections and rate constants for electron scattering by molecular oxygen are presented. Transitions between all 42 vibrational levels of O$_2(\textrm{X}\ ^3\Sigma_g^- $) are considered. Molecular…
We create molecules from fermionic atoms in a three-dimensional optical lattice using a Feshbach resonance. In the limit of low tunnelling, the individual wells can be regarded as independent three-dimensional harmonic oscillators. The…
We give a detailed and self-contained description of a recently developed theoretical and numerical method for the simulation of three identical bosonic alkali-metal atoms near a Feshbach resonance, where the Efimov effect is induced. The…
We demonstrate a scheme for the Fourier synthesis of periodic optical potentials with asymmetric unit cells for atoms. In a proof of principle experiment, an atomic Bose-Einstein condensate is exposed to either symmetric or sawtooth-like…
The hyperfine structure and isotope shifts of the 3s23p2 3P2 to 3s3p3 3Do3 transition in silicon have been measured. The transition at 221.7 nm was studied by laser induced fluorescence in an atomic Si beam. For 29Si, the hyperfine A…
We present a neural-network emulator for the thermal and chemical evolution in Population III star formation. The emulator accurately reproduces the thermochemical evolution over a wide density range spanning 21 orders of magnitude…
The interaction of ionizing and far-ultraviolet radiation with the interstellar medium is of great importance. It results in the formation of regions in which the gas is ionized, beyond which are photodissociation regions (PDRs) in which…
We present a complete theory of bicircular high-order-harmonic emission from N-fold rotationally symmetric molecules. Using a rotating frame of reference we predict the complete structure of the high-order-harmonic spectra for arbitrary…