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Zur Theorie der Hydridmoleküle nach dem Modell des vereinigten Atoms
Zur Theorie der Hydridmoleküle nach dem Modell des vereinigten Atoms
217 views
Many-electron problems. I. Energy relations in the theory of neutral atoms
Many-electron problems. I. Energy relations in the theory of neutral atoms
215 views
Many-electron problems III scaling of the density distributions and the potential fields
Many-electron problems III scaling of the density distributions and the potential fields
214 views
Ab initio molecular calculations with pseudopotentials: calculations of double-zeta quality on BeH2, BH3, CH4, and C2H6
Ab initio molecular calculations with pseudopotentials: calculations of double-zeta quality on BeH2, BH3, CH4, and C2H6
233 views
Ab initio molecular calculations with pseudopotentials: Higher quality calculations on Li2, LiH, and BeH2
Ab initio molecular calculations with pseudopotentials: Higher quality calculations on Li2, LiH, and BeH2
216 views
Scaling in pseudopotential theory
Scaling in pseudopotential theory
213 views
The first ionization energy, electron affinity and electronegativity calculated by theX α method with ab initio self-consistent exchange parameter
The first ionization energy, electron affinity and electronegativity calculated by theX α method with ab initio self-consistent exchange parameter
214 views
Many-electron problems. IV. Internal field and β-decay
Many-electron problems. IV. Internal field and β-decay
212 views
The Xα method with AB initio exchange parameters, diamagnetic susceptibility and nuclear magnetic shielding constants for several atoms
The Xα method with AB initio exchange parameters, diamagnetic susceptibility and nuclear magnetic shielding constants for several atoms
212 views
Molecular pseudopotential calculations VII. 1
Molecular pseudopotential calculations VII. 1
214 views
Zur theorie des Hj-moleküls
Zur theorie des Hj-moleküls
216 views
Über die Theorie der Bindung von Zweiwertigen Zwelatomigen Ionenmolekülen. Bindung der Erdalkalimetalloxyde
Über die Theorie der Bindung von Zweiwertigen Zwelatomigen Ionenmolekülen. Bindung der Erdalkalimetalloxyde
218 views
The Hellmann-Feynman theorem in the variational method
The Hellmann-Feynman theorem in the variational method
215 views
Pseudopotential and valence exchange in the multiple scattering method
Pseudopotential and valence exchange in the multiple scattering method
212 views
Spin orbitals and total energy calculated by the Xα method including ab initio self-consistent exchange parameters αSCF
Spin orbitals and total energy calculated by the Xα method including ab initio self-consistent exchange parameters αSCF
215 views
Electronegativities and hardnesses of several atoms and ions calculated with the Xα method having self-consistent parameter α
Electronegativities and hardnesses of several atoms and ions calculated with the Xα method having self-consistent parameter α
216 views
Calculations in a model potential field for the isoelectronic series of the Li atom
Calculations in a model potential field for the isoelectronic series of the Li atom
216 views
Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion
Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion
224 views
Theoretical interpretation of the optical and electrical properties of tellurium, selenium and their alloys
Theoretical interpretation of the optical and electrical properties of tellurium, selenium and their alloys
214 views
Extended pseudopotential calculations with Gaussian-type polarization potential for alkali homo- and heteronuclear diatomic molecules
Extended pseudopotential calculations with Gaussian-type polarization potential for alkali homo- and heteronuclear diatomic molecules
213 views