56 citations · 56 across the 3 of their papers we have counts for
3 papers
Efficient, precise DFT calculations of NMR shieldings: Revisiting the finite field approach
Xiao Liu, Kaushik D. Nanda, Jiashu Liang +1
Absolute nuclear magnetic shielding constants and relative chemical shifts are second-derivative response properties that underpin the interpretation of Nuclear Magnetic Resonance…
Preparation and control of electronic wave packets in neutral molecules via attosecond x-ray processes
Emanuele Rossi, Stasis Chuchurka, Kaushik D. Nanda +3
We present a perturbative framework for computing the dynamics of an electronic wave packet launched by an attosecond x-ray pulse in a neutral molecule. The x-ray pulse excites the…
RIXS Reveals Hidden Local Transitions of the Aqueous OH Radical
L. Kjellsson, K. Nanda, J. -E. Rubensson +23
Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practical…