Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential.

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Coupled-cluster method for open-shell heavy-element systems with spin-orbit coupling.Relativistic Coupled Cluster Calculations with Variational Quantum Electrodynamics Resolve the Discrepancy between Experiment and Theory Concerning the Electron Affinity and Ionization Potential of Gold.

P2860

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Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential.

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2016 nî lūn-bûn

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2016年の論文

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2016年論文

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2016年論文

@zh-hant

2016年論文

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2016年論文

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2016年論文

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2016年论文

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2016年论文

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2016年论文

@zh-cn

name

Relativistic equation-of-motio ...... ation to ionization potential.

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Relativistic equation-of-motio ...... ation to ionization potential.

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Item

label

Relativistic equation-of-motio ...... ation to ionization potential.

@en

Relativistic equation-of-motio ...... ation to ionization potential.

@nl

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Relativistic equation-of-motio ...... ation to ionization potential.

@en

Relativistic equation-of-motio ...... ation to ionization potential.

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P1476

Relativistic equation-of-motio ...... cation to ionization potential

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P2093

Himadri Pathak

http://www.w3.org/2001/XMLSchema#string

Malaya K Nayak

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Nayana Vaval

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Sourav Pal

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P2860

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Transition energies of ytterbium, lutetium, and lawrencium by the relativistic coupled-cluster method

Measurement of the first ionization potential of lawrencium, element 103.

High-order electron-correlation methods with scalar relativistic and spin-orbit corrections.

Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space.

Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions.

Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations.

Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling.

Multireference coupled-cluster theory: the easy way.

Higher-order equation-of-motion coupled-cluster methods for electron attachment.

P304

074110

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scholarly article

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10.1063/1.4960954

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English

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http://www.w3.org/2001/XMLSchema#string

P478

145

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P50

Sudip Sasmal

P577

2016-08-01T00:00:00Z

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P698

27544090

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P818

1602.08202

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Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential.

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P2860

P2860

Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential.

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P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P818

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P818