16 citations · 16 across the 1 of their papers we have counts for
4 papers
Electronic stress tensor analysis of hydrogenated palladium clusters
Kazuhide Ichikawa, Ayumu Wagatsuma, Pawel Szarek +3
We study the chemical bonds of small palladium clusters Pd_n (n=2-9) saturated by hydrogen atoms using electronic stress tensor. Our calculation includes bond orders which are rece…
Inverted-sandwich-type and open-lantern-type dinuclear transition metal complexes: theoretical study of chemical bonds by electronic stress tensor
Kazuhide Ichikawa, Ayumu Wagatsuma, Yusaku I. Kurokawa +2
We study the electronic structure of two types of transition metal complexes, the inverted-sandwich-type and open-lantern-type, by the electronic stress tensor. In particular, the…
Theoretical Study of Hydrogenated Tetrahedral Aluminum Clusters
Kazuhide Ichikawa, Yuji Ikeda, Ayumu Wagatsuma +3
We report on the structures of aluminum hydrides derived from a tetrahedral aluminum Al4 cluster using ab initio quantum chemical calculation. Our calculation of binding energies o…
Electronic stress tensor of the hydrogen molecular ion: Comparison between the exact wave function and approximate wave functions using Gaussian basis sets
Kazuhide Ichikawa, Ayumu Wagatsuma, Masashi Kusumoto +1
We investigate the electronic stress tensor of the hydrogen molecular ion for the ground state using the exact wave function and wave functions approximated by gaussian function ba…