Title of article :
Compact Hylleraas-type wavefunctions for the lithium isoelectronic sequence
Author/Authors :
Thakkar، نويسنده , , Ajit J and Koga، نويسنده , , Toshikatsu and Tanabe، نويسنده , , Tomomi and Teruya، نويسنده , , Hirohide، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Abstract :
Compact Hylleraas-type wavefunctions of three types, denoted A, B and C, are constructed for the 2S ground states of the lithium atom and its isoelectronic ions Be+, B2+,…,Si11+. All the exponents and powers of the basis functions are optimized. The 20-term type B and 50-term type C wavefunctions are as accurate as several significantly larger expansions reported in the literature. The 50-term type C wavefunctions predict energies accurate to better than 3 parts in 107.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters