Fig. 4: Calculated electron density evolution in molecular nitrogen up to 200 GPa. aIntegrated crystal orbital bond index (ICOBI) values of intra (ICOBI > 2) and intermolecular (ICOBI < 0.25) N-N regions, plotted for both ε- and ζ-N2. Some ICOBI values are labeled with ...
diagram (see “Methods”). Consistent with our theoretical simulations, quantum Hall states with\(\nu\) = ±8 are the most robust and can be observed at the smallestB, down toB ≈ 0.05 T which reveals the presence of four mini Dirac cones. Additionally, due to electron-hole...
the geometry factor rapidly decreases. The diagonal line (highlighted with black dots) at the lowest energies is due to the photo-electric effect in which a\gamma-ray transfers energy to a photo-electron. This effect dominates LNDs\gamma-ray response...
1999), the third panel plots the equatorial pitch angle, the bottom panel plots the distance along the field line from the equatorial plane in km and the x-axis is time from 0 to 2 seconds, with the electron initially at the equatorial plane. The figure shows that the whistler traps the...
Fig. 5. Atomic orbital HOMO - LUMO composition of the frontier molecular orbital of PIDAA. Table 6. Calculated energy values of the PIDAA by B3LYP/6-311++G (d, p). Molecular propertiesEnergy (eV)Energy gap (eV)Ionization potential (I)Electron affinity (A)Global hardness (η)Electro nega...
The term ∇𝑖∇i refers to the kinetic operator for a single particle, specifically for the i-th electron. The notation 𝐫𝑖ri is used to denote the coordinates of electrons. 𝐑𝐴RA and 𝑍𝐴ZA are used to signify the respective coordinates and charges of the A-th nucleus ...
An all-electron basis set based on Gaussian-type orbitals was employed in the case of chromium (Cr_86-411d41G_catti_1995) [58,59], silicon (Si_86-311G**_pascale_2005) [60,61], and nitrogen (N_6-21G*_dovesi_1990) [62,63]. The symmetries of the analyzed structures were determin...
s hull integrity by 88%. The ICMs do their job and intercept both torpedoes headed for the destroyer. The light cruiser is raked by energy fire with the Astro Blaster III’s electron battery knocking out its ICM launcher, the Nova-AR’s laser battery short circuiting the power system, ...
Periodic trends in electron affinity Formation of a negative ion occurs when an electron from some external source enters the atom and become incorporated into the lowest energy orbital that possesses a vacancy. Because the entering electron is attracted to the positive nucleus, the formation of nega...
The copper ion in the undoped parent compound is +2 with a 3d9 configuration, resulting in one hole occupied in the Cu 3d orbital. In fact, the Cu 3d orbital splits into a higher energy level eg orbital and a lower energy level t2g orbital in the oxygen octahedral crystal field ...