(Q50912169)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

7 January 2020

title

Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule" (English)

1 reference

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7 January 2020

2

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7 January 2020

author name string

Daoling Peng

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

7 January 2020

Yunlong Xiao

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

7 January 2020

Lan Cheng

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

7 January 2020

language of work or name

English

0 references

publication date

1 September 2007

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

7 January 2020

published in

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7 January 2020

volume

127

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

7 January 2020

issue

10

1 reference

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7 January 2020

page(s)

104106

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17867736%20AND%20SRC:MED&resulttype=core&format=json

Four-component relativistic theory for nuclear magnetic shielding constants: the orbital decomposition approach.

7 January 2020

cites work

1 reference

Four-component relativistic theory for nuclear magnetic shielding constants: critical assessments of different approaches.

21 January 2018

1 reference

Resolution of identity Dirac-Kohn-Sham method using the large component only: Calculations of g-tensor and hyperfine tensor.

21 January 2018

1 reference

On the Dirac Theory of Spin 1/2 Particles and Its Non-Relativistic Limit

21 January 2018

1 reference

Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations.

21 January 2018

1 reference

A systematic sequence of relativistic approximations.

21 January 2018

1 reference

Optimized Slater-type basis sets for the elements 1-118.

21 January 2018

1 reference

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

Ab initiopseudopotentials for Hg to Rn

21 January 2018

1 reference

Relativistic effects on the bonding of heavy and superheavy hydrogen halides

21 January 2018

1 reference

Spin–orbit effects on the transactinidep-block element monohydrides MH (M=element 113–118)

21 January 2018

1 reference

Relativistic and correlation effects on molecular properties. I. The dihalogens F2, Cl2, Br2, I2, and At2

21 January 2018

1 reference

Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation.

21 January 2018

1 reference

Spectroscopic constants of gold and eka-gold (element 111) diatomic compounds: The importance of spin–orbit coupling

21 January 2018

1 reference

On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties

21 January 2018

1 reference

Kinetic balance in contracted basis sets for relativistic calculations

21 January 2018

1 reference

Using the locality of the small-component density in molecular Dirac?Hartree-Fock calculations

21 January 2018

1 reference

Relativistic and correlation effects on molecular properties. II. The hydrogen halides HF, HCl, HBr, HI, and HAt

21 January 2018

1 reference

https://api.fatcat.wiki/v0/release/rlj43faukbezpm7pgjjrzfolpq

21 January 2018

Identifiers

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Fatcat ID

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