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Highly Cited

2012

Highly Cited

2012

Part I Theory and Experiment - Why We Need TDDFT.- Part II Basic Theory.- PartIII Advanced Concepts.- Part IV Real-Time Dynamics… Expand

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Highly Cited

2007

Highly Cited

2007

Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool… Expand

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Review

2007

Review

2007

For the calculation of neutral excitations, time-dependent density functional theory (TDDFT) is an exact reformulation of the… Expand

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Highly Cited

2005

Highly Cited

2005

The electronic structure and size scaling of spectroscopic observables in conjugated polymers are investigated using time… Expand

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Highly Cited

2004

Highly Cited

2004

of time-dependent density functional theory. We show that the optical absorption spectrum of solids exhibiting a strong continuum… Expand

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2004

2004

Alberto Castro,1 Miguel A. L. Marques,2 Julio A. Alonso,3 and Angel Rubio4 1Departamento de Física Teórica, Universidad de… Expand

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Highly Cited

2003

Highly Cited

2003

An extension of density functional theory to situations with significant nondynamical correlation is presented. The method is… Expand

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Highly Cited

2003

Highly Cited

2002

Highly Cited

2002

We report the implementation of the computation of rotatory strengths, based on time-dependent density functional theory, within… Expand

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Highly Cited

1998

Highly Cited

1998

Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory

An accurate determination of frequency-dependent molecular hyperpolarizabilities is at the same time of possible technological… Expand

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