Concepedia

Detailed description of the flexible periodic London–Eyring–Polanyi–Sato potential energy function

L. Martin-Gondre, C. Crespos, P. Larrégaray, J.C. Rayez, D. Conte, Bruno van Ootegem

Chemical Physics · 2009 · 28 citations · 40 references

DOI

Concepts

References

40

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)

Martin Karplus, R. N. Porter, R. D. Sharma · The Journal of Chemical Physics · 1965 · 1K citations

, , +17

Potential Energy Surface for H3

R. N. Porter, Martin Karplus · The Journal of Chemical Physics · 1964 · 667 citations

, , +17

Molecular potential energy surfaces by interpolation

Josef Ischtwan, Michael A. Collins · The Journal of Chemical Physics · 1994 · 473 citations

, , +17