From 6d653796d79ec19735f829d5eba75f2a9af2a3ec Mon Sep 17 00:00:00 2001 From: Thibaut Lacroix <57836508+tfmlaX@users.noreply.github.com> Date: Wed, 29 May 2024 20:05:45 +0200 Subject: [PATCH] Changed footnote key --- docs/src/examples/protontransfer.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/src/examples/protontransfer.md b/docs/src/examples/protontransfer.md index fd3a53f..3aefbf0 100644 --- a/docs/src/examples/protontransfer.md +++ b/docs/src/examples/protontransfer.md @@ -2,7 +2,7 @@ ## Context -The MPS formalism can also be used for physical chemistry problems. One development done with the `MPSDynamics.jl` package is the introduction of a reaction coordinate tensor, allowing the system to be described in space [^chin_ESIPT_2024]. It can model an electronic system with discretized states being described along a reaction coordinate. The introduction of a reaction coordinate allows to recover the well-known doublewell viewpoint and wavepacket dynamics can be analyzed with the reduced density matrix. +The MPS formalism can also be used for physical chemistry problems. One development done with the `MPSDynamics.jl` package is the introduction of a reaction coordinate tensor, allowing the system to be described in space [^lede_ESIPT_2024]. It can model an electronic system with discretized states being described along a reaction coordinate. The introduction of a reaction coordinate allows to recover the well-known doublewell viewpoint and wavepacket dynamics can be analyzed with the reduced density matrix. Here is an illustrative example of two electronic configurations undergoing a tautomerization : the enol named $|e\rangle$ and the keto named $|k\rangle$. ```math @@ -317,6 +317,6 @@ display(gif(anim, "gif_reducedrho.gif", fps = 2.5)) ________________ ## Bibliography -[^chin_ESIPT_2024]: +[^lede_ESIPT_2024]: > Le Dé, B.; Huppert, S.; Spezia, R.; Chin, A.W Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic Dynamics https://arxiv.org/abs/2405.08693