MOLPRO Basis Query (current), basis=Ahlrichs-pVDZ

 Molpro basis library ahlrichs_pvdz (Ahlrichs pVDZ)
 Generated from data/ahlrichs_pvdz.bas at Mon Jul  5 12:36:51 BST 1999

  Literature Citation
Elements                             References                               
--------                             ----------                               
H - Kr: A. Schafer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).  

  POLARIZATION AND/OR DIFFUSE FUNCTIONS
Elements                             References                               
--------                             ----------                               
H - Kr: R. Ahlrichs and coworkers, (mostly unpublished)                       

 HYDROGEN     (4s) -> [2s]                                      
 HYDROGEN     (1p)                                              

 HELIUM       (4s) -> [2s]                                      
 HELIUM       (1p)                                              

 LITHIUM      (7s) -> [3s]                                      
 LITHIUM      (1p)                                              

 BERYLLIUM    (7s) -> [3s]                                      
 BERYLLIUM    (2p)                                              

 BORON        (7s,4p) -> [3s,2p]                                
 BORON        (1d)                                              

 CARBON       (7s,4p) -> [3s,2p]                                
 CARBON       (1d)                                              

 NITROGEN     (7s,4p) -> [3s,2p]                                
 NITROGEN     (1d)                                              

 OXYGEN       (7s,4p) -> [3s,2p]                                
 OXYGEN       (1d)                                              

 FLUORINE     (7s,4p) -> [3s,2p]                                
 FLUORINE     (1d)                                              

 NEON         (7s,4p) -> [3s,2p]                                
 NEON         (1d)                                              

 SODIUM       (10s,5p) -> [4s,1p]                               
 SODIUM       (1p)                                              

 MAGNESIUM    (10s,5p) -> [4s,1p]                               
 MAGNESIUM    (1p)                                              

 ALUMINUM     (10s,7p) -> [4s,3p]                               
 ALUMINUM     (1d)                                              

 SILICON      (10s,7p) -> [4s,3p]                               
 SILICON      (1d)                                              

 PHOSPHORUS   (10s,7p) -> [4s,3p]                               
 PHOSPHORUS   (1d)                                              

 SULFUR       (10s,7p) -> [4s,3p]                               
 SULFUR       (1d)                                              

 CHLORINE     (10s,7p) -> [4s,3p]                               
 CHLORINE     (1d)                                              

 ARGON        (10s,7p) -> [4s,3p]                               
 ARGON        (1d)                                              

 POTASSIUM    (14s,8p) -> [5s,2p]                               
 POTASSIUM    (1p)                                              

 CALCIUM      (14s,8p) -> [5s,2p]                               
 CALCIUM      (1p)                                              

 SCANDIUM     (14s,8p,5d) -> [5s,2p,2d]                         
 SCANDIUM     (1p)                                              

 TITANIUM     (14s,8p,5d) -> [5s,2p,2d]                         
 TITANIUM     (1p)                                              

 VANADIUM     (14s,8p,5d) -> [5s,2p,2d]                         
 VANADIUM     (1p)                                              

 CHROMIUM     (14s,8p,5d) -> [5s,2p,2d]                         
 CHROMIUM     (1p)                                              

 MANGANESE    (14s,8p,5d) -> [5s,2p,2d]                         
 MANGANESE    (1p)                                              

 IRON         (14s,8p,5d) -> [5s,2p,2d]                         
 IRON         (1p)                                              

 COBALT       (14s,8p,5d) -> [5s,2p,2d]                         
 COBALT       (1p)                                              

 NICKEL       (14s,8p,5d) -> [5s,2p,2d]                         
 NICKEL       (1p)                                              

 COPPER       (14s,8p,5d) -> [5s,2p,2d]                         
 COPPER       (1p)                                              

 ZINC         (13s,8p,5d) -> [5s,2p,2d]                         
 ZINC         (1p)                                              

 GALLIUM      (14s,10p,5d) -> [5s,4p,2d]                        
 GALLIUM      (1d)                                              

 GERMANIUM    (14s,10p,5d) -> [5s,4p,2d]                        
 GERMANIUM    (1d)                                              

 ARSENIC      (14s,10p,5d) -> [5s,4p,2d]                        
 ARSENIC      (1d)                                              

 SELENIUM     (14s,10p,5d) -> [5s,4p,2d]                        
 SELENIUM     (1d)                                              

 BROMINE      (14s,10p,5d) -> [5s,4p,2d]                        
 BROMINE      (1d)                                              

 KRYPTON      (14s,10p,5d) -> [5s,4p,2d]                        
 KRYPTON      (1d)