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density-fitting

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Browser-native quantum chemistry in WebGPU and TypeScript. HF, UHF, DFT, MP2, CCSD, unrestricted CCSD and CCSD(T), with WGSL kernels for the CCSD(T) triples and the Fock build. EE/IP/EA-EOM-CCSD, Cholesky density fitting, statevector and MPS/DMRG. Cross-checked against PySCF, ITensor and brute-force Hamiltonians.

  • Updated Aug 16, 2026
  • TypeScript

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