Frozen-core full-CI calculation of imaginary frequency-dependent dipole polarizabilities of ground state BeH2 and the C6 dispersion coefficients of its homodimer

2005 ◽  
Vol 414 (1-3) ◽  
pp. 51-54 ◽  
Author(s):  
Gian Luigi Bendazzoli ◽  
Antonio Monari ◽  
Giuseppe Figari ◽  
Marina Rui ◽  
Camilla Costa ◽  
...  
Keyword(s):  
Ground State ◽  
Imaginary Frequency ◽  
Dispersion Coefficients ◽  
Frequency Dependent ◽  
Full Ci ◽  
Ci Calculation ◽  
Dipole Polarizabilities

Static and Frequency-Dependent Dipole–Dipole Polarizabilities of All Closed-Shell Atoms up to Radium: A Four-Component Relativistic DFT Study

ChemPhysChem ◽  
2008 ◽  
Vol 9 (3) ◽  
pp. 445-453 ◽  
Author(s):  
Radovan Bast ◽  
Andreas Heßelmann ◽  
Paweł Sałek ◽  
Trygve Helgaker ◽  
Trond Saue
Keyword(s):  
Closed Shell ◽  
Dft Study ◽  
Frequency Dependent ◽  
Relativistic Dft ◽  
Dipole Polarizabilities

Benchmark full-CI calculation on C2H2: comparison with (SC)2-CI and other truncated-CI approaches

1998 ◽  
Vol 288 (2-4) ◽  
pp. 348-355 ◽  
Author(s):  
Nadia Ben-Amor ◽  
Stefano Evangelisti ◽  
Daniel Maynau ◽  
Elda Rossi
Keyword(s):  
Full Ci ◽  
Ci Calculation
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