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III.F.2.

Completed calculations for Al- (Aluminum atom anion)

Methods and basis sets for which an energy has been calculated. "e" indicates just an energy has been calculated. "o" indicates an optimized geometry. "v" indicates vibrational frequencies. "s" followed by a number indicates completed calculations for different states (for example s1ov). "c" followed by a number indicates completed calculations for different conformations (for example c2ov).
See the Calculated Energies page (section III.A.1) for more calculated properties.
Methods with predefined basis sets
composite G1 s1e
G2MP2 s1e
G2 s1e
G3 s1e
G3B3 s1e
G3MP2 s1e
G4 s1e
CBS-Q s1e

Methods with standard basis sets
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ
hartree fock HF s1o s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o
ROHF   s1o s1o s1o s1o s1o s1o s1o s1o     s1o s1o s1o s1o s1o s1o
density functional LSDA s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o s1o  
BLYP s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o        
B1B95 s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o s1o  
B3LYP s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o
B3LYPultrafine         s1o                     s1o s2o  
B3PW91 s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o        
mPW1PW91 s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o s1o  
PBEPBE s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o s1o  
PBE1PBE         s1o s2o                        
TPSSh         s1o s2o   s1o s2o                    
Moller Plesset perturbation MP2 s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o
MP2=FULL s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o s1o s1o s1o s2o s1o
ROMP2 s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o    
MP3         s1o   s1o s2o                    
MP3=FULL         s1o s2o   s1o s2o                    
MP4   s1o     s1o       s1o       s1o     s1o  
B2PLYP                         s1o s2o        
Configuration interaction CID   s1o s1o s1o s1o     s1o                  
CISD   s1o s1o s1o s1o     s1o                  
Quadratic configuration interaction QCISD   s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o s1o  
QCISD(T)         s1o             s1o s1o        
Coupled Cluster CCD   s1o s1o s1o s1o s1o s1o s1o s1o s1o   s1o s1o   s1o s1o  
CCSD         s1o             s1o s1o        
CCSD(T)         s1o             s1o s1o s1o s1o s1o  
CCSD(T)=FULL         s1o             s1o s1o s1o s1o s1o  

Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD
hartree fock HF s1o s1o s1o s1o s1o s1o
density functional B3LYP s1o s1o s1o s1o s1o s1o
Moller Plesset perturbation MP2 s1o s1o s1o s1o s1o s1o

Single point energy calculations (select basis sets)
cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ
Moller Plesset perturbation MP2FC// HF/6-31G* s1e s1e s1e s1e
MP2FC// MP2FC/6-31G*       s1e
Coupled Cluster CCSD(T)// HF/6-31G* s1e s1e s1e s1e
CCSD(T)// B3LYP/6-31G*   s1e    
CCSD(T)// MP2FC/6-31G*       s1e
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.