caa a22 4500 465818552 CHVBK 20180323112129.0 cr unu---uuuuu 170327e19900501xx s 000 0 eng 10.1007/BF01114680 doi (NATIONALLICENCE)springer-10.1007/BF01114680 On the accuracy of correlation energy calculated by the correlation factor method: first- and second-row atoms [Elektronische Daten] [Emilio San-Fabián, José Pérez-Jordá, Federico Moscardó] Summary: The correlation energy of two- and four-isoelectronic series, a representative example for which the existing spin-density functionals fails, is calculated using the Colle and Salvetti method, considering mono- and multideterminantal wave functions. The results are in agreement with experimental data, and show the potentiality of this method when it is applied to wave functions including the most relevant configurational features. Also, results for the ionization energies and electron affinities of first- and second-row atoms are reported. Springer-Verlags, 1990 Correlation energy nationallicence Functional density nationallicence Correlation factor nationallicence Ionization energies nationallicence Electron affinities nationallicence San-Fabián Emilio Departmento de Química Física, Universidad de Alicante, E-03080, Alicante, Spain aut Pérez-Jordá José Departmento de Química Física, Universidad de Alicante, E-03080, Alicante, Spain aut Moscardó Federico Departmento de Química Física, Universidad de Alicante, E-03080, Alicante, Spain aut Theoretica chimica acta Springer-Verlag 77/3(1990-05-01), 207-212 0040-5744 77:3<207 1990 77 214 https://doi.org/10.1007/BF01114680 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01114680 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- San-Fabián Emilio Departmento de Química Física, Universidad de Alicante, E-03080, Alicante, Spain aut NATIONALLICENCE 700 1- Pérez-Jordá José Departmento de Química Física, Universidad de Alicante, E-03080, Alicante, Spain aut NATIONALLICENCE 700 1- Moscardó Federico Departmento de Química Física, Universidad de Alicante, E-03080, Alicante, Spain aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 77/3(1990-05-01), 207-212 0040-5744 77:3<207 1990 77 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer