In our series so far, we have progressed from the Hartree-Fock (HF) method to density functional theory (DFT), and further to ...

IntroductionLast time, we introduced the Hohenberg–Kohn theorem, which is the starting point of Density Functional Theory (DFT). What became clear there was the possibility that "the energy and ...

Many of you will remember them from your physics lessons at school: often represented as colourful clouds or balloons, electron orbitals provide information on the whereabouts of the electrons in ...

Yokohama, Japan - YNU researchers resolve the age-old mystery of why silicon cannot replace carbon in organic compounds. A new benchmark quantum chemical calculation of C 2, Si 2, and their hydrides ...

UPTON, NY--A team of scientists has found evidence for a new type of electron pairing that may broaden the search for new high-temperature superconductors. The findings, described in the journal ...

In a new study, an international group of researchers has found that chiral phonons can create orbital current without needing magnetic elements—in part because chiral phonons have their own magnetic ...

(Nanowerk News) No one will ever be able to see a purely mathematical construct such as a perfect sphere. But now, scientists using supercomputer simulations and atomic resolution microscopes have ...

The molecular orbitals of a single C 6 0 molecule on a tungsten tip can be used to shape the emission pattern of electrons. Figure 1: Artist’s impression of electron emission via a C 60 molecule’s ...

One of the most famous and intriguing results of quantum mechanics is the finding that fundamental particles, such as electrons, cannot be pinned down to one single location. Instead, a particle is ...

Electrons, the stuff of chemical bonds, zip around at an unimaginably fast time-scale—on the order of attoseconds (10 –18 seconds). The ability to generate and control attosecond pulses of laser light ...

A team of scientists has found evidence for a new type of electron pairing that may broaden the search for new high-temperature superconductors. The findings, described in the journal Science, provide ...

Evidence has been found for a new type of electron pairing that may broaden the search for new high-temperature superconductors. The findings provide the basis for a unifying description of how ...