Excitation spectrum for interacting bosons high-density calculations
β Scribed by K.M. Khanna; A.N. Phukan
- Publisher
- Elsevier Science
- Year
- 1972
- Weight
- 644 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0031-8914
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π SIMILAR VOLUMES
Configuration interaction (CI) calculations restricted to single excitations with respect to a closed-shell ground state determinant have been performed using modified CI-Hamiltonian matrix elements. Shifted molecular-orbital (MO) eigenvalues from Kohn-Sham density functional theory (DVI') are used
## Abstract A modified regional selfβinteraction correction (mRSIC) method is proposed for obtaining accurate coreβexcitation energies in timeβdependent density functional theory (TDDFT) calculations. The mRSIC method is an improvement of the RSIC method (Tsuneda et al. J Comput Chem 2003, 24, 1592