Weak interactions of molecular hydrogen clusters: Novel 1D, 2D, 3D building blocks for ultracold H2 phases
Standard density functional theoretic and natural bond orbital analysis methods are employed to explore structural and energetic trends in the unexplored domain of ultraweak intermolecular interactions of H2. The structural motifs of optimized (H2)n clusters are found to differ appreciably from thos...
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2025-04-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0263339 |
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