Asymmetric cell divisions play a key role in establishing neuronal diversity in the mammalian and Drosophila CNS, but the mechanisms involved are mostly unknown. The Drosophila MP2 precursor divides asymmetrically to generate the dMP2/vMP2 interneurons. Delta-Notch signaling is required to specify vMP2 fate, whereas the localized determinant Numb is segregated into dMP2 and is required to speci...

The kinetics for the previously proposed 114-reaction mechanism for the chemical vapor deposition (CVD) process that leads from methyltrichlorosilane (MTS) to silicon carbide (SiC) are examined. Among the 114 reactions, 41 are predicted to proceed with no intervening barrier. For the remaining 73 reactions, transition states and their corresponding barrier heights have been explored using secon...

We present a novel method that appropriately handles both dynamical and static electron correlations in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable candidate for degenerate systems where static correlation is ubiquitous, it is known that most of dynamical correlation is neglected in EHF. In this work, we d...

The Gaussian-type orbital and Gaussian-type geminal (GGn) model is applied to the water molecule, at the level of second-order Møller-Plesset (MP2) theory. In GGn theory, correlation factors are attached to all doubly-occupied orbital pairs (GG0), to all doubly-occupied and singly-excited pairs (GG1), or to all orbital pairs (GG2). Optimizing the GG2 model using a weak-orthogonality functional,...

Abstract This paper introduces 2MP-inverses, MP2-inverses, and C2MP-inverses, for rectangular matrices following a different approach to that used in the recent literature. These new inverses generalize some classical Instead of considering system matrix equations as usually, order define 2MP-inverses we consider construction from oblique projectors represented by means outer generalized invers...

We calculate binding energies of four molecular solids using the Hartree-Fock (HF) and second-order M{\o}ller-Plesset perturbation theory (MP2). obtain within many-body expansion (MBE) as well periodic boundary conditions (PBC) to compare both approaches. The systems we study are methane, carbon dioxide, ammonia, methanol. use tight convergence settings with a high precision, estimate uncertain...

This paper presents MarkPledge3 (MP3), the most efficient implementation of the MarkPledge (MP) technique. The MP technique allows the voter to verify that her vote is correctly encrypted with a soundness of 1−2−α, with 20 ≤ α ≤ 30, just by performing a match of a small string (4-5 characters). MP3 presents significant improvements over the previous MP specifications MP1 and MP2, namely approxi...

A systematic theoretical investigation on a series of dimeric complexes formed between some halocarbon molecules and electron donors has been carried out by employing both ab initio and density functional methods. Full geometry optimizations are performed at the Moller-Plesset second-order perturbation (MP2) level of theory with the Dunning's correlation-consistent basis set, aug-cc-pVDZ. Bindi...

Equilibrium structures and energies of gas-phase molecular complexes SiH(4)···BH(3), SiH(4)···B(2)H(6), and SiH(4)···BCl(3) were determined using second-order Møller-Plesset perturbation theory (MP2) and the aug-cc-pVTZ basis set, with and without explicit core electron correlation. Single-point energies were calculated for the MP2-optimized structures using MP2 with the aug-cc-pVQZ basis set a...