Related papers: Linear Trimer Formation by Three-Center-Four-Elect…
We show that the recently observed class of long-range ion-Rydberg molecules can be divided into two families of states, which are characterised by their unique electronic structures resulting from the ion-induced admixture of quantum…
Molecular bonds can be divided into four primary types: ionic, covalent, van der Waals and hydrogen bonds. At ultralow temperatures a novel binding type emerges paving the way for novel molecules and ultracold chemistry [1,2]. The…
Correlated electron materials with molecular orbital states extending over transition metal clusters can host multiferroicity, spin frustration, and unconventional insulating phases. However, the fundamental criteria that govern cluster…
Understanding the formation of metal-molecule contact at the microscopic level is the key towards controlling and manipulating atomic scale devices. Employing two isomers of bipyridine, $4, 4^\prime$ bipyridine and $2, 2^\prime$ bipyridine…
The spatial distribution of the internal pressure of an electron fluid, which spontaneously arises at the formation of a molecule or a crystal, is linked to the main features of chemical bonding in molecular crystals. The local pressure is…
The formation of well-defined three-dimensional (3D) redox-active molecular nanostructures at the electrode surfaces may open additional routes to achieve higher conductance in molecular junctions (MJs). We report here experimental and…
Rydberg molecules, Rydberg-atom or Rydberg-molecule, are an essential ingredient of cold molecular sciences. However, due to the richness of Rydberg-neutral interactions, new kinds of Rydberg molecules and binding mechanisms are still to be…
Atoms with a highly excited electron, called Rydberg atoms, can form unusual types of molecular bonds. The bond differs from the well known ionic and covalent bonds not only by its binding mechanism, but also by its bond length ranging up…
Chemical bonding is the stabilization of a composite molecular system caused by different interactions in and between the subsystems, among the strong kinds of bonding is covalent bonding especially important. Characteristic for covalent…
Bonding in the C$_2$ molecule is investigated with CAS(8,8) wave functions using canonical MOs. In a subsequent step, orthogonal atomic orbitals are constructed by localizing the CASSCF MOs on the two carbon atoms with an orthogonal…
The effects of different contact geometries, bond dimerization, and gate voltage on quantum transport through a C$_{60}$ molecule are studied by the Landauer-B\"{u}ttiker formula based on the Green's function technique. It is shown that the…
Using a break junction technique, we find a clear signature for the formation of conducting hybrid junctions composed of a single organic molecule (benzene, naphthalene or anthracene) connected to chains of platinum atoms. The hybrid…
We investigate the pairing and crystalline instabilities of bosonic and fermionic polar molecules confined to a ladder geometry. By means of analytical and quasi-exact numerical techniques, we show that gases of composite molecular dimers…
A Rydberg and a ground-state atom can form ultralong range diatomic molecules provided the interaction between the ground-state atom and the Rydberg electron is attractive [C. H. Greene, et al., Phys. Rev. Lett. 85, 2458 (2000)]. A…
The chemical bond is one of the most powerful, yet controversial concepts in chemistry, explaining property trends in solids. Recently, a novel type of chemical bonding has been identified in several higher chalcogenides, characterized by a…
We consider collisional properties of weakly bound heteronuclear molecules (dimers) formed in a two-species mixture of atoms with a large mass difference. We focus on dimers containing light fermionic atoms as they manifest collisional…
The formation of ultralong-range Rydberg molecules is a result of the attractive interaction between Rydberg electron and polarizable ground state atom in an ultracold gas. In the nondegenerate case the backaction of the polarizable atom on…
We discuss symmetry breaking in two-dimensional quantum dots resulting from strong interelectron repulsion relative to the zero-point kinetic energy associated with the confining potential. Such symmetry breaking leads to the emergence of…
H$_3^{2+}$ is a one-electron system with three positive nuclei and is known to be unstable in its electronic ground-state. We examine an analogous one-electron system composed of a $^{87}$Rb Rydberg atom interacting with a pair of cations…
We present an effective description for the crystal structures of pnictogen elemental solids. In these materials, each atom contains three valence electrons in $p$ orbitals. They are shared between neighbouring atoms to form valence bonds.…