PW86-PW91 density functional calculation of vertical ionization potentials: Some implications for present-day functionals-Reference-Cited by-同舟云学术

PW86-PW91 density functional calculation of vertical ionization potentials: Some implications for present-day functionals

Published:2000 Issue:1 Volume:81 Page:34-52
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quant. Chem.

Author:

Shapley Warwick A.,Chong Delano P.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference51 articles.

1. Density functional calculation of core-electron binding energies of isomers of C3H6O2 and C3H5NO

2. Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set

3. Accurate density-functional calculation of core-electron binding energies by a total-energy difference approach

4. ; Calculation of Vertical Ionization Potentials Using a Density Functional Total-Energy Difference Approach, presented at the 8th International Conference on the Application of Density Functional Theory to Chemistry and Physics, Rome, September 1999, sponsored by the Consiglio Nazionale delle Ricerche (CNR), Rome, Italy.

5. Assessment of Density Functional Methods for the Calculation of Ionization Potentials of Unsaturated Molecules

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