Method

Psi4 quantum chemistry

Psi4 developers · v1.0.0

provenance_verified author_implementation paid_per_execution published

What it does

Ab initio quantum chemistry with Psi4 — HF, DFT, post-HF methods for small-to-medium molecules.

When to use it

Ab initio quantum chemistry with Psi4 — HF, DFT, post-HF methods for small-to-medium molecules.

Implementation provenance

This MCP is labelled author_implementation. Tools bind to author repository code.

Paper(s)

No papers linked.

Code: https://github.com/psi4/psi4

Licence: See upstream repository

Available MCP tools

`run`

Invoke Psi4 quantum chemistry (catalog entry — wire author MCP or Paper2MCP for full tools)

Provenance: author_provided · psi4_quantum_chem:run

{
  "properties": {
    "problem": {
      "type": "string"
    }
  },
  "type": "object"
}

Example invocation

curl -s -X POST http://127.0.0.1:8765/api/v1/methods/psi4_quantum_chem/execute \
  -H 'Content-Type: application/json' \
  -d '{"tool_name":"run","arguments":{}}'

Validation evidence

provenance_verified: claimed — Upstream repository linked and catalogued. Not execution-verified until MCP tools pass tests.

Price · usage · pay

Current version: psi4_quantum_chem@1.0.0

Price: $0.1400 / execution

Executions: 0 · Creator earnings: $0.00

Citation

Psi4 developers. Psi4 quantum chemistry (v1.0.0). LemmaMCP method `psi4_quantum_chem`. Implementation: author_implementation. Verification: provenance_verified.