Citation: H. Reis et al., Comparison of the non-linear optical properties of a dimethylaminostilbenederivative containing a molybdenum mononitrosyl redox centre and of p,p '-dimethylaminonitrostilbene, calculated by ab-initio methods, PHYS CHEM P, 3(18), 2001, pp. 3901-3905
Citation: H. Reis et al., Electrostatic calculation of linear and non-linear optical properties of ice Ih, II, IX and VIII, CHEM PHYS, 263(2-3), 2001, pp. 301-316
Authors:
Eckart, U
Ingamells, VE
Papadopoulos, MG
Sadlej, AJ
Citation: U. Eckart et al., Vibrational effects on electric properties of cyclopropenone and cyclopropenethione, J CHEM PHYS, 114(2), 2001, pp. 735-745
Citation: H. Reis et al., Calculation of refractive indices and third-harmonic generation susceptibilities of liquid benzene and water: Comparison of continuum and discrete local-field theories, J CHEM PHYS, 114(2), 2001, pp. 876-881
Authors:
Avramopoulos, A
Ingamells, VE
Papadopoulos, MG
Sadlej, AJ
Citation: A. Avramopoulos et al., Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydrides, J CHEM PHYS, 114(1), 2001, pp. 198-210
Authors:
Reis, H
Papadopoulos, MG
Calaminici, P
Jug, K
Koster, AM
Citation: H. Reis et al., Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals, CHEM PHYS, 261(3), 2000, pp. 359-371
Authors:
Ingamells, VE
Papadopoulos, MG
Sadlej, AJ
Citation: Ve. Ingamells et al., Vibrational corrections to linear and nonlinear static electric propertiesof polyatomic molecules at non-optimum reference geometry, CHEM PHYS, 260(1-2), 2000, pp. 1-10
Authors:
Reis, H
Papadopoulos, MG
Hattig, C
Angyan, JG
Munn, RW
Citation: H. Reis et al., Distributed first and second order hyperpolarizabilities: An improved calculation of nonlinear optical susceptibilities of molecular crystals, J CHEM PHYS, 112(14), 2000, pp. 6161-6172
Citation: H. Reis et al., DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters B-n (n=3-8, 10), INT J QUANT, 78(2), 2000, pp. 131-135
Authors:
Ingamells, VE
Papadopoulos, MG
Sadlej, AJ
Citation: Ve. Ingamells et al., Vibrational corrections to static electric properties of diatomics by Numerov-Cooley integration, CHEM P LETT, 316(5-6), 2000, pp. 541-550
Authors:
Janssen, RHC
Theodorou, DN
Raptis, S
Papadopoulos, MG
Citation: Rhc. Janssen et al., Molecular simulation of static hyper-Rayleigh scattering: A calculation ofthe depolarization ratio and the local fields for liquid nitrobenzene, J CHEM PHYS, 111(21), 1999, pp. 9711-9719
Citation: Sg. Raptis et al., The correlation, relativistic, and vibrational contributions to the dipolemoments, polarizabilities, and first and second hyperpolarizabilities of ZnS, CdS, and HgS, J CHEM PHYS, 111(17), 1999, pp. 7904-7915
Authors:
Janssen, RHC
Bomont, JM
Theodorou, DN
Raptis, S
Papadopoulos, MG
Citation: Rhc. Janssen et al., Computer simulation of the linear and nonlinear optical properties of liquid benzene: Its local fields, refractive index, and second nonlinear susceptibility, J CHEM PHYS, 110(13), 1999, pp. 6463-6474
Authors:
Theologitis, M
Screttas, GC
Raptis, SG
Papadopoulos, MG
Citation: M. Theologitis et al., The polarizability and the second hyperpolarizability of tetrakis(phenylethynyl)ethene and several of its lithiated derivatives, INT J QUANT, 72(3), 1999, pp. 177-187
Authors:
Ingamells, VE
Papadopoulos, MG
Raptis, SG
Citation: Ve. Ingamells et al., Vibrational effects on the polarizability and second hyperpolarizability of ethylene, CHEM P LETT, 307(5-6), 1999, pp. 484-492