Abstract
Abstract Configuration Interaction (CI) calculations on the ground state of the B anion are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. About 1600 configurations have been selected according to their contribution to the total energy. One set of exponents is optimized for the whole expansion. Using a CI computer program with Slater orbitals from our previous publication (Ruiz and Troger, 2018), written with the purpose of calculating the ground state of carbon atom, we have obtained an energy of − 24.65090936 a.u. for the ground 3P state of the boron anion. For the electron affinity (EA) of the boron atom we have considered a previous similar calculation on the 2P ground state of boron atom obtaining 293.2 meV, which is comparable to other theoretical calculations and the experimental value 279.723(25) meV. The low-lying 3P excited states of the boron anion have been determined employing a shorter wave function expansion consisting of about 1000 configurations. These states have the energies − 24.57876395 a.u., − 24.54146848 a.u. and − 24.50013781 a.u., respectively.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
