Ab initio
 phase diagram of PbSe crystals calculated with the random phase approximation

Tobias Schäfer; Zhaochuan Fan; Michael Grünwald; Georg Kresse

doi:10.1103/physrevb.98.144103

Ab initio phase diagram of PbSe crystals calculated with the random phase approximation

Physical Review B ◽

10.1103/physrevb.98.144103 ◽

2018 ◽

Vol 98 (14) ◽

Author(s):

Tobias Schäfer ◽

Zhaochuan Fan ◽

Michael Grünwald ◽

Georg Kresse

Keyword(s):

Phase Diagram ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation

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ChemInform Abstract: Ab initio Configuration Interaction and Random Phase Approximation Calculations of the Excited Singlet and Triplet States of Adenine and Guanine

ChemInform ◽

10.1002/chin.199042321 ◽

1990 ◽

Vol 21 (42) ◽

Author(s):

J. D. PETKE ◽

G. M. MAGGIORA ◽

R. E. CHRISTOFFERSEN

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Random Phase Approximation ◽

Random Phase ◽

Triplet States ◽

Phase Approximation ◽

Excited Singlet ◽

Singlet And Triplet States

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Phase diagram of charged dumbbells: A random phase approximation approach

Physical Review E ◽

10.1103/physreve.70.021504 ◽

2004 ◽

Vol 70 (2) ◽

Cited By ~ 4

Author(s):

Alexander Kudlay ◽

Alexander V. Ermoshkin ◽

Monica Olvera de la Cruz

Keyword(s):

Phase Diagram ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Approximation Approach

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ChemInform Abstract: An ab Initio Random Phase Approximation Study of the Excited-State Intramolecular-Proton Transfer in 3-Hydroxychromone.

Chemischer Informationsdienst ◽

10.1002/chin.198605069 ◽

1986 ◽

Vol 17 (5) ◽

Author(s):

T. D. BOUMAN ◽

M. A. KNOBELOCH ◽

S. BOHAN

Keyword(s):

Excited State ◽

Proton Transfer ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Intramolecular Proton Transfer ◽

Phase Approximation

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Phase diagram of quantum Heisenberg antiferromagnet on the body-centered-cubic lattice in random phase approximation

Solid State Communications ◽

10.1016/j.ssc.2013.12.007 ◽

2014 ◽

Vol 182 ◽

pp. 55-58 ◽

Cited By ~ 20

Author(s):

Milan R. Pantić ◽

Darko V. Kapor ◽

Slobodan M. Radošević ◽

Petar M. Mali

Keyword(s):

Phase Diagram ◽

Random Phase Approximation ◽

Random Phase ◽

The Body ◽

Phase Approximation ◽

Heisenberg Antiferromagnet ◽

Body Centered Cubic ◽

Cubic Lattice ◽

Body Centered Cubic Lattice

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An ab initio random phase approximation study of the excited-state intramolecular proton transfer in 3-hydroxychromone

The Journal of Physical Chemistry ◽

10.1021/j100267a012 ◽

1985 ◽

Vol 89 (21) ◽

pp. 4460-4464 ◽

Cited By ~ 13

Author(s):

Thomas D. Bouman ◽

Michael A. Knobeloch ◽

Steve Bohan

Keyword(s):

Excited State ◽

Proton Transfer ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Intramolecular Proton Transfer ◽

Phase Approximation

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Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of adenine and guanine

Journal of the American Chemical Society ◽

10.1021/ja00170a008 ◽

1990 ◽

Vol 112 (14) ◽

pp. 5452-5460 ◽

Cited By ~ 26

Author(s):

James D. Petke ◽

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Random Phase Approximation ◽

Random Phase ◽

Triplet States ◽

Phase Approximation ◽

Excited Singlet ◽

Singlet And Triplet States

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Optmizied random phase approximation for the phase diagram of C60 material

Journal of the Nigerian Association of Mathematical Physics ◽

10.4314/jonamp.v10i1.40101 ◽

2008 ◽

Vol 10 (1) ◽

Author(s):

F Matthew-Ojelabi ◽

KA Aduloju

Keyword(s):

Phase Diagram ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation

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Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of uracil and cytosine

The Journal of Physical Chemistry ◽

10.1021/j100196a027 ◽

1992 ◽

Vol 96 (17) ◽

pp. 6992-7001 ◽

Cited By ~ 19

Author(s):

James D. Petke ◽

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Random Phase Approximation ◽

Random Phase ◽

Triplet States ◽

Phase Approximation ◽

Excited Singlet ◽

Singlet And Triplet States

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AB initio calculations of oscillator and rotatory strengths in the random-phase approximation: planar and twisted butadiene

Chemical Physics Letters ◽

10.1016/0009-2614(78)80414-x ◽

1978 ◽

Vol 53 (1) ◽

pp. 160-164 ◽

Cited By ~ 9

Author(s):

Thomas D. Bouman ◽

Aage E. Hansen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation

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ChemInform Abstract: OPTICAL ACTIVITY OF SATURATED KETONES. AB INITIO LOCALIZED ORBITAL ANALYSIS OF A MODEL KETONE IN THE RANDOM-PHASE APPROXIMATION

Chemischer Informationsdienst ◽

10.1002/chin.197919041 ◽

1979 ◽

Vol 10 (19) ◽

Author(s):

T. D. BOUMAN ◽

B. VOIGT ◽

A. E. HANSEN

Keyword(s):

Ab Initio ◽

Optical Activity ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Localized Orbital ◽

Orbital Analysis

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