✦ LIBER ✦

Calculation of ionization potentials from density matrices and natural functions, and the long-range behavior of natural orbitals and electron density

✍ Scribed by Morrell, Marilyn M.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Long-range behavior of natural orbitals

✍ Ahlrichs, Reinhart 📂 Article 📅 1976 🏛 American Institute of Physics 🌐 English ⚖ 431 KB

Direct calculation of density matrices:

✍ Ren Imai; Tsung-Tai Chen; Jack Simons 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 391 KB

Proton affinity, ionization energy, and

✍ DeKock, Roger L.; Barbachyn, Michael R. 📂 Article 📅 1979 🏛 American Chemical Society 🌐 English ⚖ 488 KB

Universal Variational Functionals of Ele

✍ Mel Levy 📂 Article 📅 1979 🏛 National Academy of Sciences 🌐 English ⚖ 846 KB

Ionization potentials and electron affin

✍ Cioslowski, Jerzy; Piskorz, Pawel; Liu, Guanghua 📂 Article 📅 1997 🏛 American Institute of Physics 🌐 English ⚖ 373 KB

Nature of the highest occupied molecular

✍ V. A. Godik; A. N. Rodionov; V. K. Potapov; D. N. Shigorin 📂 Article 📅 1984 🏛 Springer 🌐 English ⚖ 375 KB