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- Meta van Faassen, Paul L de Boeij, Robert van Leeuwen, Jeff A. Berger, Jaap G. Snijders
- Physical review letters
- 2002

We solve the long-standing problem of the large overestimation of the static polarizability of conjugated polymers obtained using the local density approximation within density-functional theory. Theâ€¦ (More)

- Pina Romaniello, Paul L de Boeij
- The Journal of chemical physics
- 2007

In this paper we derive the relativistic two-component formulation of time-dependent current-density-functional theory. To arrive at a two-component current-density formulation we apply aâ€¦ (More)

- Nathaniel Raimbault, Paul L de Boeij, Pina Romaniello, Jeffrey A. Berger
- Physical review letters
- 2015

In this work we solve two problems related to the calculation of static and dynamical magnetic properties with abÂ initio theories. First, we show that the dependence of the dynamical magnetic dipoleâ€¦ (More)

- Pina Romaniello, Paul L de Boeij
- The Journal of chemical physics
- 2005

We included relativistic effects in the formulation of the time-dependent current-density-functional theory for the calculation of linear response properties of metals [P. Romaniello and P. L. deâ€¦ (More)

- Meta van Faassen, Paul L de Boeij
- The Journal of chemical physics
- 2004

We study the pi*<--pi singlet excitations of the pi-conjugated oligomers of polyacetylene, polydiacetylene, polybutatriene, polythiophene, poly(para-phenylene vinylene), and the lowest singletâ€¦ (More)

- Meta van Faassen, Paul L de Boeij
- The Journal of chemical physics
- 2004

In this article we explain how the existing linear response theory of time-dependent density-functional theory can be extended to obtain excitation energies in the framework of time-dependentâ€¦ (More)

- Nathaniel Raimbault, Paul L de Boeij, Pina Romaniello, Jeffrey A. Berger
- Journal of chemical theory and computation
- 2016

Standard formulations of magnetic response properties, such as circular dichroism spectra, are plagued by gauge dependencies, which can lead to unphysical results. In this work, we present a generalâ€¦ (More)

- Jeff A. Berger, Paul L de Boeij, Robert van Leeuwen
- The Journal of chemical physics
- 2005

The aim of this work is to provide a physical model to relate the polarizability per unit cell of oligomers to that of their corresponding infinite polymer chains. For this we propose anâ€¦ (More)

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