Erratum to: Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes

Long-range corrected DFT calculations of

Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes

✍ Mikołaj M. Mikołajczyk; Robert Zaleśny; Żaneta Czyżnikowska; Petr Toman; Jerzy L 📂 Article 📅 2010 🏛 Springer-Verlag 🌐 English ⚖ 259 KB

An assessment of several widely used exchange--correlation potentials in computing charge-transfer integrals is performed. In particular, we employ the recently proposed Coulomb-attenuated model which was proven by other authors to improve upon conventional functionals in the case of charge-transfer