Concepedia

Calculation of one-electron properties from SCF Xα SW functions for H2O

Susan Beatty Woodruff, Max Wolfsberg

Chemical Physics Letters · 1978 · 11 citations · 16 references

DOI

Concepts

References

16

Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb

Karlheinz Schwarz · Physical review. B, Solid state · 1972 · 1.2K citations

, , +17

Quantum theory of molecules and solids

W.J.T. · Journal of Molecular Structure · 1975 · 804 citations

, , +12

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

D. Neumann, Jules W. Moskowitz · The Journal of Chemical Physics · 1968 · 294 citations

, , +15

SCF-<i>X</i> αSW calculations on PH3 using a nonempirical scheme for choosing overlapping-sphere radii

Joe G. Norman · The Journal of Chemical Physics · 1974 · 252 citations

, , +12

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree–Fock limit

Bruce J. Rosenberg, Isaiah Shavitt · The Journal of Chemical Physics · 1975 · 168 citations

, , +17