Three-dimensional representation of the pure electric-dipole and the mixed first hyperpolarizabilities The modified unit sphere representation

von Bonvicini, Andrea
Veröffentlicht in: Journal of computational chemistry (2024)

Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities

von Mohammed, Ahmed A K
Veröffentlicht in: Journal of computational chemistry (2013)

Vibrational Raman optical activity of pi-conjugated helical systems hexahelicene and heterohelicenes

von Liégeois, Vincent
Veröffentlicht in: Journal of computational chemistry (2009)

Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems

von Jacquemin, Denis
Veröffentlicht in: Journal of computational chemistry (2002)

Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction

von Quinet, Olivier
Veröffentlicht in: Journal of computational chemistry (2002)