Anisotropic hydrogen atoms in charge-density analysis
نویسندگان
چکیده
منابع مشابه
Nuclear-Charge Screening in Positronium Formation from Helium Atoms
An analytical treatment of the electron screening effect within an active-electron model is given for positronium formation from helium atoms. A first-order distorted wave approximation with correct boundary conditions is applied to evaluate the transition amplitude. In the range of impact energy for which the introduced perturbative approach is valid, both the total and differential cross sect...
متن کاملMagnetic Charge of the Stark States of Hydrogen Atoms
It is conjectured that Stark states of excited hydrogen atom posses magnetic charge for which the quantum mechanical operator is G op = e ¯ h (σ · A) where A is the Runge-Lenz vector. The expectation value g of this operator for Stark states is found to be g = e(n 1 − n 2) which obeys a Dirac-Saha type quantization formula eg c = (n 1 − n 2)α where α is the fine structure constant and n 1 and n...
متن کاملModeling and Analysis of Hydrogen Atoms
Hydrogen atoms are elusive seen from the point of view of the X-ray crystallographer. But they are also extremely important, being involved in a wealth of intermolecular interactions and thereby defining the way molecules interact. Most experimental charge density studies are performed on compounds containing hydrogen, yet a commonly accepted strategy to deal with these elusive but so important...
متن کاملnuclear-charge screening in positronium formation from helium atoms
an analytical treatment of the electron screening effect within an active-electron model is given for positronium formation from helium atoms. a first-order distorted wave approximation with correct boundary conditions is applied to evaluate the transition amplitude. in the range of impact energy for which the introduced perturbative approach is valid, both the total and differential cross sect...
متن کاملCharge Density Analysis in Magnesium Hydride
Magnesium is considered one of the most promising materials for reversible hydrogen storage, because it has high storage capacity. However, the high thermodynamic stability of magnesium hydride is unfavorable for dehydrogenation processes. Understanding the bonding nature of Mg and H is essential for improving its dehydrogenation performance. Therefore, the charge density distribution in MgH2 w...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2019
ISSN: 2053-2733
DOI: 10.1107/s2053273319091071