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...

A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with Hartree-Fock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capability has been implemented in the CHARMM and Q-Chem software packages. In addition, we have modified CHARMM and Q-Chem to take advantage of the newly introduced replica path and the nudged elastic band methods, which are power...

A fast stochastic method for calculating the second order Møller-Plesset (MP2) correction to the correlation energy of large systems of electrons is presented. The approach is based on reducing the exact summation over occupied and unoccupied states to a time-dependent trace formula amenable to stochastic sampling. We demonstrate the abilities of the method to treat systems with thousands of el...

The central nervous system (CNS) represents an excellent model system for examining how a multitude of unique cell fates are specified. We find that asymmetric localization of the numb protein autonomously controls a binary cell fate decision in the Drosophila CNS. The simplest lineage in the Drosophila CNS is that of the MP2 precursor: it divides unequally to generate the dMP2 and vMP2 neurons...

The melanization reaction is used as an immune mechanism in arthropods to encapsulate and kill microbial pathogens. In Drosophila, the serpin Spn27A regulates melanization apparently by inhibiting the protease that activates phenoloxidase, the key enzyme in melanin synthesis. Here, we have described the genetic characterization of two immune inducible serine proteases, MP1 and MP2, which act in...