𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Program for assigning molecular orbitals to irreducible representations of symmetry groups

✍ Scribed by Gy. Dömötör; M.I. Bán

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
271 KB
Volume
9
Category
Article
ISSN
0097-8485

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Addendum to construction of linearly ind
Addendum to construction of linearly independent relativistic symmetry orbitals for finite double-point groups including time-reversal symmetry
✍ J. Meyer 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 131 KB

the formalism for the construction of linearly independent relativistic symmetry-adapted molecular basis functions under consideration of time-reversal symmetry was published. We present here an addition and correction of the application of time reversal on the construction. This new theory is now a

Studies on the goodness of IBA group sym
Studies on the goodness of IBA group symmetries. I. Centroids, widths and partial widths for irreducible representations of IBA group symmetries: V. K. B. Kota. Physical Research Laboratory, Navrangpura, Ahmedabad-380 009, India
📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 77 KB

One-particle propagators of the relativistic electron-positron gas are systematically investigated. With the nonvanishing chemical potential the neutrality of the whole system is secured by a uniformly charged classical background described by a classical current J,,. Due to the translational invari

Application of the HLISP program for the
Application of the HLISP program for the irreducible representation matrix of the permutation groups and the partition function of the dilute linear Heisenberg chain
✍ Shigetoshi Katsura; Masaru Sampei; Masayuki Suzuki; Yoshihiko Abe 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 376 KB

For the irreducible representation matrix ofpermutation groups the recurrence relations are regarded as a recursive definition, and an HLISP program to calculate it is presented. The partition function of the dilute linear Heisenberg model is calculated by using the reduction of the matrix of the pe

Orientation of O(3) and SU(2)⊗CI represe
Orientation of O(3) and SU(2)⊗CI representations in cubic point groups (Oh,Td) for application to molecular spectroscopy
✍ M. Rey; V. Boudon; Ch. Wenger; G. Pierre; B. Sartakov 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 241 KB

We propose a detailed method for the symmetrization of the standard Oð3Þ or SU ð2Þ C I basis jj s ; mi (s ¼ g or u) into the O h or T d point group. This is realized by means of an orientation matrix called G. The oriented basis obtained in this way allows matrix element calculations for rovibronic