✦ LIBER ✦

Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations

✍ Scribed by Meng, Sheng; Kaxiras, Efthimios

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Implementation of the analytic energy gr

✍ Minezawa, Noriyuki; De Silva, Nuwan; Zahariev, Federico; Gordon, Mark S. 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 740 KB

Analytical approach for the excited-stat

✍ Liu, Jie; Liang, WanZhen 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 428 KB

Time-Dependent Density Functional Theory

✍ Mingxian Ma; Dapeng Yang 📂 Article 📅 2011 🏛 Springer 🌐 English ⚖ 435 KB

Excited state nuclear forces from the Ta

✍ Hutter, Jürg 📂 Article 📅 2003 🏛 American Institute of Physics 🌐 English ⚖ 330 KB

Augmenting basis set for time-dependent

✍ Chong *, D.P. 📂 Article 📅 2005 🏛 Taylor and Francis Group 🌐 English ⚖ 162 KB

Predictions of Optical Excitations in Tr

✍ Petit, Laurence; Maldivi, Pascale; Adamo, Carlo 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 74 KB