From owner-chemistry@ccl.net Tue Jun 16 01:44:00 2020 From: "Frank Jensen frj]![chem.au.dk" To: CCL Subject: CCL: Use of CASSCF with dynamical correlations to calculate singlet-triplet gap Message-Id: <-54106-200616014217-17548-aNCwnG3JkDqYB38UJuY0GQ,,server.ccl.net> X-Original-From: Frank Jensen Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_VI1PR0102MB3358C63AD4FCA7787C1F39A69C9D0VI1PR0102MB3358_" Date: Tue, 16 Jun 2020 05:42:01 +0000 MIME-Version: 1.0 Sent to CCL by: Frank Jensen [frj=chem.au.dk] --_000_VI1PR0102MB3358C63AD4FCA7787C1F39A69C9D0VI1PR0102MB3358_ Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: base64 RHluYW1pY2FsIGNvcnJlbGF0aW9uIHdpbGwgYWx3YXlzIGJlIGxhcmdlciBmb3IgdGhlIHNpbmds ZXQgc3RhdGUgY29tcGFyZWQgdG8gdGhlIHRyaXBsZXQgZm9yIHRoZSBzYW1lIG9yYml0YWwNCmNv bmZpZ3VyYXRpb24uIFRoaXMgaXMgZHVlIHRvIHRoZSB0cmlwbGV0IGJ5IHZpcnR1ZSBvZiB0aGUg UGF1bGkgcHJpbmNpcGxlICh3YXZlIGZ1bmN0aW9uIGFudGlzeW1tZXRyeSkgaW5jbHVkZXMgdGhl 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