期刊
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
卷 15, 期 7, 页码 4180-4186出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jctc.9b00346
关键词
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资金
- Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy awards (DOE) [DE-FG02-04ER15571, DE-SC0019484]
- National Science Foundation [CHE-1663822]
A twisted X-ray beam with orbital angular momentum is employed in a theoretical study to probe molecular chirality. A nonlocal response description of the matter-field coupling is adopted to account for the field short wavelength and the structured spatial profile. We use the minimal-coupling Hamiltonian, which implicitly takes into account the multipole contributions to all orders. The combined interactions of the spin and orbital angular momentum of the X-ray beam give rise to circular-helical dichroism signals, which are stronger than ordinary circular dichroism signals, and may serve as a useful tool for the study of molecular chirality in the X-ray regime.
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