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- W2003670478 abstract "An implicit split-operator FFT algorithm for the numerical solution of the time-dependent Schrödinger equation is implemented for the electronic structure of H2+ and and H2. The covalent versus separated-atoms behavior is described by two distinct steady states to which the imaginary-time Schrödinger solution evolves for small or large internuclear distances, respectively. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 627–635, 1998" @default.
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- W2003670478 date "1998-01-01" @default.
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- W2003670478 title "Use of a fast Fourier transform (FFT) 3D time-dependent Schr�dinger equation solver in molecular electronic structure" @default.
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- W2003670478 doi "https://doi.org/10.1002/(sici)1097-461x(1998)70:4/5<627::aid-qua9>3.0.co;2-x" @default.
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