Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals.
about
Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling.Comment on "Single-crystal X-ray structure of 1,3-dimethylcyclobutadiene by confinement in a crystalline matrix".A tractable and accurate electronic structure method for static correlations: the perfect hextuples model.Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.Multi-reference state-universal coupled-cluster approaches to electronically excited states.Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods.pCCSD: parameterized coupled-cluster theory with single and double excitations.Potential energy curves via double electron-attachment calculations: dissociation of alkali metal dimers.Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.De-perturbative corrections for charge-stabilized double ionization potential equation-of-motion coupled-cluster method.Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.Coupled cluster Green function: Model involving single and double excitations.Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70.Adaptive multiconfigurational wave functions.Equation-of-motion coupled cluster method for high spin double electron attachment calculations.Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method.Multireference equation-of-motion coupled cluster theory.Multireference Fock space coupled cluster method in the effective and intermediate Hamiltonian formulation for the (2,0) sector.Multi-reference Fock space coupled-cluster method in the intermediate Hamiltonian formulation for potential energy surfaces.A state-specific partially internally contracted multireference coupled cluster approach.Multireference coupled-cluster theory: the easy way.Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization.Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states.State specific equation of motion coupled cluster method in general active space.
P2860
Q35602778-F3A3D758-2626-4295-A909-0899FAA418E3Q42794828-E7E4AB97-1767-4E1F-BE19-BB12AE2CCAC1Q42969693-01F7A0D3-98ED-464F-9CBB-01FFE21FCF5DQ43272032-7EBEE9B3-80ED-45F4-AC79-72069C884F8AQ45088783-C136B7D6-8AC7-4A47-8C40-F389F662B64AQ45271847-AEFB51E3-35F3-4098-8319-0664A7F60CBDQ45300537-C53BE337-67AA-465C-B8E2-64499A34CFF1Q45922772-D070AB80-35BC-467F-B545-D30F698BC0C6Q46634363-C480B9A0-2C0B-40B5-A992-525E6E8BA1A1Q46679329-D756E60E-2DE7-4A3F-B705-D9F541979A5EQ47622107-FAAE817B-A2C9-4212-B527-4926A9287766Q49161071-C979E7F8-43C5-4680-ABD5-D5B647126F8FQ50229663-99D41C61-21C9-4B46-A08F-DBB73287E689Q51051357-AEA34094-35BB-4629-81DE-B1CED24D5162Q51097470-12DFDD37-CABC-47A1-8484-4C1EC09D734DQ51100652-8A44E82F-EC30-4F5D-8266-1674CF0A37F2Q51104090-B974EB9B-8A75-4BB9-975C-5F704DECDC96Q51293489-81BC95B8-9C71-4B8D-B4B5-A464EF09030DQ51386491-4D3A1F61-FB2F-476D-8D74-9F11436E3A57Q51543489-8AA709BE-8824-421E-8A41-FA52AA96ECB9Q51559379-FE390476-8863-44C5-A3AC-578D879976CDQ51587637-ACF88CA4-5357-4D49-841F-6B7FE651CD4CQ51609436-7E2250C3-6F9C-489F-AA5C-B8621E2517CDQ51638203-4C4E335E-6753-4DFB-886B-41CF1AEA0142Q51847709-28C821B6-A8B8-4B2D-9EA5-0D7767D049C0
P2860
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Application of double ionizati ...... method to organic diradicals.
@en
Application of double ionizati ...... method to organic diradicals.
@nl
type
label
Application of double ionizati ...... method to organic diradicals.
@en
Application of double ionizati ...... method to organic diradicals.
@nl
prefLabel
Application of double ionizati ...... method to organic diradicals.
@en
Application of double ionizati ...... method to organic diradicals.
@nl
P2093
P356
P1476
Application of double ionizati ...... method to organic diradicals.
@en
P2093
K R Shamasundar
Liguo Kong
Marcel Nooijen
Ondrej Demel
P304
11895-11902
P356
10.1021/JP800577Q
P407
P577
2008-10-29T00:00:00Z