Improved convergence of Hartree–Fock style excited-state wavefunctions using second-order optimisation with an exact Hessian
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-013-1400-6.pdf
Reference33 articles.
1. Richings GW, Karadakov PB (2007) Mol Phys 105:2363
2. Surjan P (2000) Chem Phys Lett 325:120
3. Colle R, Fortunelli A, Salvetti O (1987) Theor Chim Acta 71:467
4. Gidopoulos N, Glushkov V, Wilson S (2001) Proc R Soc Lond Ser A 457:1657
5. Wilson S (2004) Int J Quantum Chem 99:925
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