London atomic orbitals

Lee, A. M., Handy, N. C., Colwell, S. M., 1995, The Density Functional Calculation of Nuclear Shielding Constants using London Atomic Orbitals , J. Chem. Phys., 103, 10095. 

As was the case for the optical rotation, the length-gauge formulation is origin dependent for finite basis set calculations, but we note that origin-independent results can be obtained using London atomic orbitals [24,25],... 

K. Ruud, T. Helgaker, R. Kobayashi, P. Jorgensen, K. Bak, H. Jensen, Multiconfigurational self-consistent field calculations of nuclear shieldings using london atomic orbitals, J. Chem. Phys. 100 (1994) 8178. 

Such orbitals are known as London Atomic Orbitals (LAO) or Gauge Including/ (m/Rr-R) I ... 

Bak KL, Jtirgensen P, Helgaker T, Ruud K (1994) Basis set convergence and correlation effects in vibrational circular dichroism calculations using London atomic orbitals. Faraday Discuss 99 121-129... 

GIAO, LAO auge Invariant Atomic ( rbitals, also known as London Atomic Orbitals... 

The London atomic orbitals XL = exp(—— Rc) used in calculations for a molecule in a magnetic field depend explicitly on that field, through the value Ac of the vector potential A calculated at the centre 7 c of the usual atomic orbital X(r-Rc)-... 

Lee AM, Handy NC, Colwell SM (1995) The density functional calculation of nuclear shielding constants using London atomic orbitals. J ChemPhys 103 10095-10109 Lippmaa,E, Magi M, Samoson A, Engelhard G, Grimmer,A-R (1980) Structural studies of silicates by solid-state high-resolution Si NMR. J Am Chem Soc 102 4889-4893 Lipscomb WN (1966) The chemical shift and other second-order magnetic and electric properties of small molecules. In Adv Mag Reson, Vol. 2, p 137-176... 

The London atomic orbitals XL = c) xic — 8c) used in calculations for a molecule in a magnetic... 

To avoid these artifacts, London atomic orbitals X t(B,Byi,r) are often employed [948,949],... 

More recently, the so-called London atomic orbitals (LAO) [also termed the gauge-independent atomic orbitals (GIAO) ], which have been... 

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