Finite element MCHF calculations on excitation energies and the ionization potential of carbon
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
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1. Energies, radial expectation values, hyperfine structures of the ground state and highly excited states for C and O2+;International Journal of Modern Physics B;2020-07-15
2. Explicitly correlated wave functions of the ground state and the lowest quintuplet state of the carbon atom;Physical Review A;2019-05-24
3. A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules;International Journal of Quantum Chemistry;2019-05-21
4. Correct small-truncated excited state wave functions obtained via minimization principle for excited states compared/ opposed to Hylleraas-Undheim and McDonald higher ``roots'';Journal of Computational Methods in Sciences and Engineering;2017-08-08
5. Analytical energy gradient in variational calculations of the two lowest P3 states of the carbon atom with explicitly correlated Gaussian basis functions;The Journal of Chemical Physics;2010-05-14
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