✦ LIBER ✦

An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

✍ Scribed by Stratmann, R. Eric; Scuseria, Gustavo E.; Frisch, Michael J.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Average excitation energies from time-de

✍ Hu, Chunping; Sugino, Osamu 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 364 KB

Time-dependent density-functional theory

✍ J. Guan; M.E. Casida; D.R. Salahub 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 361 KB

Accurate excitation energies from time-d

✍ Adamo, Carlo; Scuseria, Gustavo E.; Barone, Vincenzo 📂 Article 📅 1999 🏛 American Institute of Physics 🌐 English ⚖ 328 KB

Substantial Errors from Time-Dependent D

✍ Stefan Grimme; Maja Parac 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 94 KB 👁 2 views

Comparison of Multireference Møller−Ples

✍ Parac, Maja; Grimme, Stefan 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 78 KB

Time dependent density functional theory

✍ M. Yurtsever; G. Sönmez; A.S. Saraç 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 265 KB