✦ LIBER ✦

Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method

✍ Scribed by Wan, Jian; Hada, Masahiko; Ehara, Masahiro; Nakatsuji, Hiroshi

Book ID: 121247182
Publisher: American Institute of Physics
Year: 2001
Tongue: English
Weight: 352 KB
Volume: 114
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1351880

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic excitation spectrum of thioph

Electronic excitation spectrum of thiophene studied by symmetry-adapted cluster configuration interaction method

✍ Wan, Jian; Hada, Masahiko; Ehara, Masahiro; Nakatsuji, Hiroshi 📂 Article 📅 2001 🏛 American Institute of Physics 🌐 English ⚖ 308 KB

Excited electronic and ionized states of

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

✍ Itamar Borges 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 251 KB

Energy gradient method for the ground, e

Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method

✍ Takahito Nakajima; Hiroshi Nakatsuji 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 142 KB

Potential energy curves of the ground, e

Potential energy curves of the ground, excited, and ionized states of Ar2 studied by the symmetry adapted cluster-configuration interaction theory

✍ Mizukami, Yoshihiro; Nakatsuji, Hiroshi 📂 Article 📅 1990 🏛 American Institute of Physics 🌐 English ⚖ 848 KB

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

Investigation of the Electronic Spectra

Investigation of the Electronic Spectra and Excited-State Geometries of Poly( para -phenylene vinylene) (PPV) and Poly( para -phenylene) (PP) by the Symmetry-Adapted Cluster Configuration Interaction (SAC-CI) Method

✍ Saha, Biswajit; Ehara, Masahiro; Nakatsuji, Hiroshi 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 387 KB