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@takafumi-shiraogawa takafumi-shiraogawa released this 23 Nov 12:13
· 20 commits to master since this release
v0.2.0
03e3522
  • Restricted and unrestricted Hartree-Fock theories for arbitrary spin states and molecular charges
  • Second-order Møller-Plesset perturbation theory (MP2) for the spin singlet state
  • Configuration interaction singles (CIS) theory for spin singlet excited-state calculations

Full Changelog: v0.1.2...v0.2.0

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