Excited electronic and ionized states of the nitramide molecule, H2NNO2, studied by the symmetry-adapted-cluster configuration interaction method

Theoretical study of the vertical excite

Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster—Configuration interaction method

✍ Yongjian Li; Jian Wan; Xin Xu 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 213 KB

## Abstract The ground state and the excited states of benzene, pyrimidine, and pyrazine have been examined by using the symmetry adapted cluster‐configuration interaction (SAC‐CI) method. Detailed characterizations and the structures of the absorption peaks in the vacuum ultraviolet (VUV), low ene