Archive of work produced using the resources of the Imperial College High Performance Computing Service.

NIAID Data Ecosystem50

Single-Reference Methods Based on Complex Orbital in Electronic Structure Calculations for High-Symmetry Systems

In nonrelativistic and scalar-relativistic electronic structure calculations, molecular orbitals (MOs) are usually chosen as real functions and multideterminant wave functions are required to describe

Figshare2026-03-17 更新20

Gaussian Job Archive for C5H10

量子化学计算

分子结构模拟

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Figshare2016-01-19 更新10

Gaussian Job Archive for ClH13O6

资源简介：

Gaussian Job Archive for ClH13O6

资源简介：

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