A new visualization scheme of chemical energy density and bonds in molecules

A Tachibana - Journal of Molecular Modeling, 2005 - Springer
Covalent bond describes electron pairing in between a pair of atoms and molecules. The
space is partitioned in mutually disjoint regions by using a new concept of the electronic …

Spindle structure of the stress tensor of chemical bond

A Tachibana - International journal of quantum chemistry, 2004 - Wiley Online Library
Covalent bond describes electron pairing in between a pair of atoms and molecules. In the
current paper, the space is partitioned in mutually disjoint regions by using new concept of …

Formation of atomic tritium clusters and Bose-Einstein condensates

D Blume, BD Esry, CH Greene, NN Klausen… - Physical review letters, 2002 - APS
We present an extensive study of the static and dynamic properties of systems of spin-
polarized tritium atoms. In particular, we calculate the two-body| F, m F⟩=| 0, 0⟩ s-wave …

Spectroscopy of lithium atoms and molecules on helium nanodroplets

F Lackner, J Poms, G Krois… - The Journal of …, 2013 - ACS Publications
We report on the spectroscopic investigation of lithium atoms and lithium dimers in their
triplet manifold on the surface of helium nanodroplets (HeN). We present the excitation …

A diabatic representation of the two lowest electronic states of Li3

EN Ghassemi, J Larson, Å Larson - The Journal of Chemical Physics, 2014 - pubs.aip.org
Using the Multi-Reference Configuration Interaction method, the adiabatic potential energy
surfaces of Li 3 are computed. The two lowest electronic states are bound and exhibit a …

Spin torque and zeta force of dimer of alkali atoms

M Senami, J Nishikawa, T Hara… - Journal of the Physical …, 2010 - journals.jps.jp
In this work, the novel theoretical approach to predict the torque for spin is studied. This
approach is based on the novel quantities, the spin torque and the zeta force, which are …

Theoretical study of atoms by the electronic kinetic energy density and stress tensor density

H Nozaki, K Ichikawa… - International Journal of …, 2016 - Wiley Online Library
The electronic structure of atoms in the first, second, and third periods were analyzed using
the electronic kinetic energy density and stress tensor density, which are local quantities …

Search for bound and quasibound states in the spin-polarized atomic tritium trimer

M Salci, SB Levin, N Elander - Physical Review A—Atomic, Molecular, and …, 2004 - APS
The recent prediction of a total zero angular momentum bound state of the spin-polarized
atomic tritium trimer [D. Blume, BD Esry, Chris H. Greene, NN Klausen, and GJ Hanna, Phys …

First‐principle study on the structures and electronic properties of gallium nitride nanowires

Y Kawakami, N Higashimaki, K Doi… - … status solidi (c), 2003 - Wiley Online Library
We have carried out first‐principle density‐functional calculations for gallium nitride (GaN)
nanowires and related materials such as aluminum nitride (AlN) nanowires. The simplest …

Theoretical study of lithium ionic conductors by electronic stress tensor density and electronic kinetic energy density

H Nozaki, Y Fujii, K Ichikawa… - Journal of …, 2016 - Wiley Online Library
We analyze the electronic structure of lithium ionic conductors, and, using the electronic
stress tensor density and kinetic energy density with special focus on the ionic bonds among …