Solving the spectroscopic phase: imaging excited wave packets and extracting excited state potentials from fluorescence data
文献信息
Xuan Li, Cian Menzel-Jones, David Avisar
We develop an inversion scheme for obtaining the signs of transition-dipole amplitudes from fluorescence line intensities. Using the amplitudes thus obtained we show how to extract highly accurate excited state potential(s) and the transition-dipole(s) as a function of inter-nuclear displacements. The same dipole amplitudes can also be used to extract the phase and amplitude of unknown time-evolving wave packets, in essentially a quantum non-demolition manner. The procedure, which is demonstrated for the A(1∑+u) and B(1Πu) states of the Na2 molecule, is shown to yield reliable results even when we are given incomplete or uncertain data. We also demonstrate the success of our approach in extracting double minimum potentials. The inversion scheme is in principle applicable to any polyatomic molecule.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














