These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
9. Multireference coupled-cluster study of the symmetry breaking in the C2B radical. Li X; Paldus J J Chem Phys; 2011 Feb; 134(7):074301. PubMed ID: 21341838 [TBL] [Abstract][Full Text] [Related]
10. Coupled cluster methods including triple excitations for excited states of radicals. Smith CE; King RA; Crawford TD J Chem Phys; 2005 Feb; 122(5):54110. PubMed ID: 15740313 [TBL] [Abstract][Full Text] [Related]
11. σ-SCF: A direct energy-targeting method to mean-field excited states. Ye HZ; Welborn M; Ricke ND; Van Voorhis T J Chem Phys; 2017 Dec; 147(21):214104. PubMed ID: 29221390 [TBL] [Abstract][Full Text] [Related]
12. Stability of the complex generalized Hartree-Fock equations. Goings JJ; Ding F; Frisch MJ; Li X J Chem Phys; 2015 Apr; 142(15):154109. PubMed ID: 25903868 [TBL] [Abstract][Full Text] [Related]
13. Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory. Nascimento DR; DePrince AE J Chem Theory Comput; 2018 May; 14(5):2418-2426. PubMed ID: 29595979 [TBL] [Abstract][Full Text] [Related]
14. Modeling the doubly excited state with time-dependent Hartree-Fock and density functional theories. Isborn CM; Li X J Chem Phys; 2008 Nov; 129(20):204107. PubMed ID: 19045852 [TBL] [Abstract][Full Text] [Related]
15. Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies. Sen S; Shee A; Mukherjee D J Chem Phys; 2012 Aug; 137(7):074104. PubMed ID: 22920100 [TBL] [Abstract][Full Text] [Related]
16. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states. Villaume S; Daniel C; Strich A; Perera SA; Bartlett RJ J Chem Phys; 2005 Jan; 122(4):44313. PubMed ID: 15740254 [TBL] [Abstract][Full Text] [Related]
17. Half-Projected σ Self-Consistent Field For Electronic Excited States. Ye HZ; Van Voorhis T J Chem Theory Comput; 2019 May; 15(5):2954-2965. PubMed ID: 30995060 [TBL] [Abstract][Full Text] [Related]
18. How Evenly Can Approximate Density Functionals Treat the Different Multiplicities and Ionization States of 4d Transition Metal Atoms? Luo S; Truhlar DG J Chem Theory Comput; 2012 Nov; 8(11):4112-26. PubMed ID: 26605578 [TBL] [Abstract][Full Text] [Related]
19. The electronic structure of oxo-Mn(salen): single-reference and multireference approaches. Sears JS; Sherrill CD J Chem Phys; 2006 Apr; 124(14):144314. PubMed ID: 16626203 [TBL] [Abstract][Full Text] [Related]
20. Communication: A mean field platform for excited state quantum chemistry. Shea JAR; Neuscamman E J Chem Phys; 2018 Aug; 149(8):081101. PubMed ID: 30193500 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]