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Updated: Jul 13, 2026
13:56
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
The boundary element approach to Van der Waals interactions.
1Department of Physics, Faculty of Mathematics and Physics, University of Ljubljana, Ljubljana, Slovenia. gregor.veble@fmf.uni-lj.si
The European Physical Journal. E, Soft Matter
|July 25, 2007
Summary
We present a new boundary element method for calculating Van der Waals interactions. This approach simplifies the computation for complex shapes and is suitable for non-perturbative numerical evaluation.
Area of Science:
- Computational Physics
- Materials Science
- Physical Chemistry
Background:
- Van der Waals interactions are crucial in various physical phenomena.
- Calculating these interactions for complex geometries remains challenging.
Purpose of the Study:
- To develop a simplified boundary element method for calculating Van der Waals interactions.
- To enable accurate calculations for systems with general boundary shapes and dielectric responses.
Main Methods:
- Rewriting interaction energy expressions into surface integrals of surface operators.
- Developing a boundary element method (BEM) for numerical evaluation.
- Validating the method using the Lifshitz case.
Main Results:
- Successfully calculated Van der Waals interactions for systems with general boundary shapes.
- Provided numerical results for sphere-sphere and ellipsoid self-interaction.
- Demonstrated the method's simplicity and suitability for non-perturbative evaluation.
Conclusions:
- The developed boundary element method offers a robust and efficient way to compute non-retarded Van der Waals interactions.
- This method is particularly advantageous for complex geometries and full numerical evaluations.
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