Natural Orbitals from Generalized Sturmian Calculations
Research output: Contribution to journal › Journal article › Research › peer-review
The generalized Sturmian method is a direct configuration interaction method
for solving the Schr\"odinger equation of a many-electron system.
The configurations in the basis set
are solutions to an approximate Schr\"odinger equation
with a weighted potential $\beta_\nu V_0({\bf x})$, the weighting factors $\beta_\nu$
being chosen in such a way as to make the set of solutions isoenergetic.
The method is illustrated by calculation of atomic excited states and used to generate
natural orbitals
Original language | English |
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Book series | Advances in Quantum Chemistry |
Volume | 43 |
Pages (from-to) | 207-216 |
ISSN | 0065-3276 |
Publication status | Published - 2003 |
- Faculty of Science - atomic spectra, Sturmian bases, generalized Sturmian method, natural orbitals, electron density, quantum chemistry
Research areas
ID: 119018