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Core electron ionization and excitation energies using a unitary group adapted multi-reference coupl
[会议论文] 作者：D.Mukherjee,S.Sen,A.Shee,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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Core electron ionization and excitation energies using a unitary group adapted multi-reference coupl
[会议论文] 作者：S.Sen,A.Shee,D.Mukherjee,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
In this poster,we use one of our recently developed spin-free multi-reference coupled cluster(MRCC) formalisms for studying electronic energies of excited and ionized states involving core electrons....
Unitary group adapted state specific multi-reference perturbation theory:formulation and pilot appli
[会议论文] 作者：D.Mukherjee,S.Sen,A.Sen,P.K.Samanta,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
Unitary group adapted state specific multi-reference perturbation theory:formulation and pilot appli
[会议论文] 作者：A.Sen,S.Sen,P.K.Samanta,D.Mukherjee,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
We have recently developed a rigorously spin-adapted perturbative version of the UGA-SSMRCC[1],which we call as UGA-SSMRPT2 [2]....
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