Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

Keyphrases

• Absorption Spectra 100%
• Computational Cost 25%
• Existing Algorithms 25%
• Inner Product 25%
• Kernel Polynomial Method 50%
• Lanczos 25%
• Lanczos Algorithm 25%
• Linear-response Time-dependent Density Functional Theory 100%
• Low Memory 25%
• Matrix-vector multiplication 25%
• Medium-sized Molecules 25%
• Non-axisymmetric 50%
• Non-hermitian Eigenvalue Problems 25%
• Product Eigenvalue Problems 50%
• Product Form 25%
• Self-adjoint 25%
• Small-sized 25%
• Storage Cost 25%
• Symmetric Lanczos Process 100%
• Theory Framework 25%

Mathematics

• Density Functional 100%
• Eigenvalue Problem 100%
• Inner Product 33%
• Matrix-Vector Multiplication 33%
• Polynomials Method 66%
• Product Form 33%
• Response Time 100%
• Self-Adjoint 33%

Engineering

• Computational Cost 33%
• Eigenvalue 100%
• Linear Response 100%
• Response Time 100%
• Storage Cost 33%