The atomic orbitals of the topological atom

The effective atomic orbitals have been realized in the framework of Bader’s atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure

Atomistic subsemirings of the lattice of subspaces of an algebra

Let A be an associative algebra with identity over a field k. An atomistic subsemiring R of the lattice of subspaces of A, endowed with the natural product, is a subsemiring which is a closed atomistic sublattice. When R has no zero divisors, the set of atoms of R is endowed with a multivalued product. We introduce an equivalence relation on the set of atoms such that the quotient set with the induced product is a monoid, called the condensation monoid. Under suitable hypotheses on R, we show that this monoid is a group and the class of k1_A is the set of atoms of a subalgebra of A called the focal subalgebra. This construction can be iterated to obtain higher condensation groups and focal subalgebras. We apply these results to G-algebras for G a group; in particular, we use them to define new invariants for finite-dimensional irreducible projective representations.Comment: 14 page

Direct evaporative cooling of 39K atoms to Bose-Einstein condensation

We report the realization of Bose-Einstein condensates of 39K atoms without the aid of an additional atomic coolant. Our route to Bose-Einstein condensation comprises Sub Doppler laser cooling of large atomic clouds with more than 10^10 atoms and evaporative cooling in optical dipole traps where the collisional cross section can be increased using magnetic Feshbach resonances. Large condensates with almost 10^6 atoms can be produced in less than 15 seconds. Our achievements eliminate the need for sympathetic cooling with Rb atoms which was the usual route implemented till date due to the unfavourable collisional property of 39K. Our findings simplify the experimental set-up for producing Bose-Einstein condensates of 39K atoms with tunable interactions, which have a wide variety of promising applications including atom-interferometry to studies on the interplay of disorder and interactions in quantum gases.Comment: 7 pages, 6 figure