Publications associées (38)

Phonon Self-Energy Corrections: To Screen, or Not to Screen

Nicola Marzari, Samuel Poncé

First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouinzone samplings that might not always be sufficient to capture the subtleties of Kohn anomalies. These shortcomings can be addressed through corrections ...
College Pk2023

Gyrokinetic simulation of short wavelength ion temperature gradient instabilities in the ADITYA-U tokamak

Laurent Villard, Emmanuel Lanti

In this work, linear and nonlinear collisionless electrostatic simulation studies of the standard and short wavelength ion temperature gradient mode (SWITG) for experimental profiles and parameters of ADITYA-U tokamak are performed using the linear global ...
IOP Publishing Ltd2023

Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?

Jiri Vanicek, Seonghoon Choi

Choosing an appropriate representation of the molecular Hamiltonian is one of the challenges faced by simulations of the nonadiabatic quantum dynamics around a conical intersection. The adiabatic, exact quasidiabatic, and strictly diabatic representations ...
2020

Improved off‐resonance phase behavior using a phase‐inverted adiabatic half‐passage pulse for 13 C MRS in humans at 7 T

Rolf Gruetter, Lijing Xin, Daniel Gallichan, Eulalia Serés Roig

In vivo (13) C MRS at high field benefits from an improved SNR and spectral resolution especially when using surface coils in combination with adiabatic pulses, such as the adiabatic half-passage (AHP) pulse for (13) C excitation. However, the excitation p ...
2019

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