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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Efficient calculation of potential energy surfaces for the generation of vibrational wave functions

Guntram Rauhut1

  • 1Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.

The Journal of Chemical Physics
|November 13, 2004
PubMed

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