✦ LIBER ✦

Excited states of Mn3+ calculated by the analytical self-consisted field method

✍ Scribed by M. Synek; A.E. Rainis

Publisher: Elsevier Science
Year: 1965
Weight: 257 KB
Volume: 19
Category: Article
ISSN: 0031-9163
DOI: 10.1016/0031-9163(65)90068-5

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Self-consistent field calculations of th

Self-consistent field calculations of the electronic states of radicals

✍ Ronald G. Selsby; Mitsunori Sukigara 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 641 KB

The use of the CNDO method in spectrosco

The use of the CNDO method in spectroscopy. X. The calculation of the self-consistent doublet and triplet states

✍ H.H Jaffé; H.M Chang; C.A Masmanidis 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 792 KB

Macroscopic solvent polarization-induced

Macroscopic solvent polarization-induced reorganization of the electron density in different excited states: A study on formaldehyde molecule by a multiconfiguration self-consistent reaction-field method

✍ Chitrani Medhi; S. P. Bhattacharyya 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 321 KB 👁 2 views

A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th

Pseudopotential method for the direct co

Pseudopotential method for the direct construction of localized orbitals by multiconfiguration self-consistent field theory

✍ Herbert Schlosser 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 534 KB

Thu orbital cquatlons for the direct construction of loc.~lizcd flxcd orbit& by multrconfiguration scIf-consistent field theory (hlCSC1 -FXO) arc trnnsformcd without dpproximJtu\_nl mto pseudopotcntwl form by a two-step process. First t11c utlhlation of ;I p,Mlcular tamely of loc.kation potcntl.d\ i

On the excited states potential fields o

On the excited states potential fields of water by the method of green's function

✍ S. Trovato; A. Millefiori; A. Raudino 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 250 KB

Application of the Sakurai-Sugiura proje

Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

✍ Takashi Tsuchimochi; Masato Kobayashi; Ayako Nakata; Yutaka Imamura; Hiromi Naka 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB

## Abstract The Sakurai‐Sugiura projection (SS) method was implemented and numerically assessed for diagonalization of the Hamiltonian in time‐dependent density functional theory (TDDFT). Since the SS method can be used to specify the range in which the eigenvalues are computed, it may be an effici