This part is under still construction

S. Coriani, C. Hättig, P. Jørgensen, T. Helgaker.
``Gauge-origin independent magneto-optical activity within coupled cluster response theory''
J. Chem. Phys. 113 (2000) 3561-3572

 A. Rizzo, S. Coriani, A. Halkier, C. Hättig.
``On the electric-field-gradient-induced birefringence of a polar molecule: CO''
J. Chem. Phys. 113 (2000) 3077-3087

S. Coriani, A. Halkier, P. Jørgensen, A. Rizzo, J. Gauss, and O. Christiansen.
``Coupled Cluster investigation of Sternheimer shieldings and nuclear electric field gradient polarizabilities'',
J. Chem. Phys. 113 (2000) 1688-1697

S. Coriani, A. Halkier, A. Rizzo, and K. Ruud.
``On the molecular electric quadrupole moment and electric-field-gradient-induced birefringence of CO₂ and CS₂'',
Chem. Phys. Lett.  326 (2000) 269-276

S. Coriani, P. Jørgensen, O. Christiansen and J. Gauss.
``Triple excitation effects in coupled cluster calculations of Verdet constants'',
Chem. Phys. Lett.  330 (2000) 463-470

S. Coriani.
``Ab initio determination of molecular properties''.
Ph.D. Thesis. Aarhus University. July 2000

S. Coriani, A. Halkier, A. Rizzo.
``The electric-field-gradient-induced birefringence and the determination of molecular quadrupole moments''.
Recent Res. Devel. Chem. Physics, Ed. G. Pandalai, Transworld Scientific, Trivandrum, Kerala, India, Vol. 2 (2001) Page No: 1-21.

D. Jonsson, P. Norman, H. Aagren, A. Rizzo, S. Coriani, K. Ruud.
``The Cotton-Mouton effect of gaseous CO₂, N₂O, OCS and CS₂. A Cubic Response MCSCF study''.
J. Chem. Phys. 114 (2001) 8372-8381.

A. Halkier, S. Coriani.
``State-of-the-art ab initio calculations of the molecular electric quadrupole moments of hydrogen fluoride''.
Chem. Phys. Lett. 346 (2001) 329-333.

A. Rizzo, S. Coriani, B. Fernandez, O. Christiansen.
``A coupled cluster response study of the electric dipole polarizability and first and second hyperpolarizabilities of HCl''.
Phys. Chem. Chem. Phys. 4 (2002) 2884-2890.

M. Pecul, S. Coriani.
``The effect of triple excitations in coupled cluster calculations of Raman scattering cross sections''.
Chem. Phys. Lett. 355 (2002) 327-338.

S. Coriani, M. Pecul, A. Rizzo, P. Jørgensen, M. Jaszunski.
``Ab initio study of magnetochiral birefringence''.
J. Chem. Phys., 117 (2002) 6417-6428.

K. Hald, A. Halkier, P. Jørgensen, S. Coriani.
``Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties''.
J. Chem. Phys., 117 (2002) 9983-9990

K. Hald, A. Halkier, P. Jørgensen, S. Coriani, C. Hättig, T. Helgaker.
``A Lagrangian, integral-density direct formulation and implementation of the  analytic CCSD and CCSD(T) gradients''.
J. Chem. Phys., 118 (2003) 2985.

D. Marchesan, S. Coriani, A. Rizzo.
`` Density dependence of the electric-field-gradient induced birefringence of the helium, neon and argon gases''.
Mol. Phys., 101 (2003) 1851.

S. Coriani, A. Halkier, J. Gauss, D. Jonsson, A. Rizzo, O. Christiansen.
``On the electric-field-gradient induced birefringence and the molecular electric quadrupole moments of CO, N₂O and OCS''.
J. Chem. Phys., 118 (2003) 7329

A. Rizzo,  S. Coriani.
``Jones birefringence in gases. Ab initio correlated results for atoms and linear molecules''.
J. Chem. Phys., 119 (2003) 11064-11079

J.L. Cacheiro, B. Fernandez, D. Marchesan, S. Coriani, C. Hättig, A. Rizzo.
``Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon''.
Mol. Phys., 102 (2004) 101-110

W. Klopper, S. Coriani, T. Helgaker, P. Jørgensen.
``First-order relativistic corrections to response properties: The hyperpolarizability of the Ne atom''.
J. Phys. B: At. Mol. Opt. Phys., 37 (2004) 3753-3763
 

• DALTON Quantum Chemistry Program

Last update: December  1, 2002 (Webmaster: Sonia)