About DV-Xα

DV-Xα society is a professional community where its members consist of researchers, innovators, lecturers, academicians, and practitioners who employ DV-Xα method for research and industrial development. The society was established in 1988. Since then, the society holds a series of conference periodically in summer and has published ISBN proceedings. Nowadays, DV-Xα society has more than 500 members, 23 of which are the board members. Since the majority of the members are from Japan, then it was decided that the society is also based in Japan and is led by Prof. Yoshiyuki Kowada from Hyogo University of Teacher Education, Japan.

DV-Xα is a software; it is used to analyse the molecule of orbital structure of material without involving any experimental parameter (ab-initio). This is one of the most multifunctional methods used to estimate the structure of aggregates electronic atom or a cluster in basic and excited states. Other than that, DV–Xα method is well known to be one of the most accurate methods to measure an electronic state for a substance which is not only light but also heavy metal elements. Furthermore, the method has been widely used for research, applied in chemistry, solid-state Physics, material science, electron spectroscopy and X-ray spectroscopy, and industrial development.

Initially, the discrete variational (DV) method was established by Prof. Emerit. Donald E. Ellis in Physics Department of Northwestern University, USA. Then the method was developed by one of his students, Bernard Delley, from Paul Scherrer Institut (PSI), Switzerland. He developed the method on local density functional calculations on molecules, known as a software, DMol. The software is used to calculate electronics properties in molecule, cluster, surface and solid crystalline materials using first-principles calculation. The latest development of the software is called as DMol3, where it also has been commercially marketable as a package model of ©Material Studio. Furthermore, Prof. E. J. Baerends from Vrije Universiteit, Amsterdam developed a software, Amsterdam Density Functional Theory (ADF). ADF is used to calculate electronic structure using first-principles and it is prominently used for particular issues in spectroscopy, transition metals and other elements. In the end of 1970s, Prof. Hirohiko Adachi from Kyoto University, Japan, enhanced the usability of DV-Xα software from the integration of DV and the change of Xα potency. The personage in the history of the DV-Xα method development is shown in Figure 1.


Figure 1. Figures in the development of historical DV-Xα method. Pictures from left to right, Prof. Emerit. Donald E. Ellis, Prof. Emerit. Bernard Delley, Prof. E. J. Baerends, dan Prof. Hirohiko Adachi.


The international conference on DV-Xα method has been carried out for six times in the past. The implementation of the 1st conference was initiated and hosted by The Insitute of Nuclear Research of the Hungarian Academy of Sciences (ATOMKI), Debrecen,  Hungary on 2-3 September 1996 and published, Advances in Quantum Chemistry: Electronic Structure of Cluster, Academic Press Vol. 29 (1997). From the first conference, the board members agreed to hold the conference biannually.

The second conference of DV-Xα  was held on 3-5 August 1998 under the cooperation between Seoul National University and Kunsan National University, Seoul, South Korea. It released a proceeding, published in Advances in Quantum chemistry: DV-Xα for Atomic Spectroscopy and Material Science, Academic Press Vol. 37 (2000). Following this event, RIKEN hosted the third conference in Japan on 31 July – 3 August 2001 and resulted in a proceeding, published in Advances in Quantum Chemistry: DV-Xα for Advanced Nanomaterials, Academic Press Vol. 42 (2003).  The fourth conference was held after it was halted for five years. It happened on 3-5 August 2006 held by Korean Basic Science Institute (KBSI).

KBSI is a research institute formed in 1988. The institute’s activities are funded by the government of Korea and moves under National Research Council of Science and Technology Korea, undertaking related researches in basic and pure science. In that year, KBSI organized the conference in Jeju, South Korea and released a proceeding, published in Hartree-Focks-Slater Method for Materials Science: The DV-Xα Method for Design and Characterization of Material, Springer, 2006. Then on 6-8 August 2008, the fifth conference was organized by University of Hyogo, Himeji, Japan and the outcome of the conference was a proceeding, published by International Journal of Quantum Chemistry, Wiley, Vol. 109, No. 12, 2009. As a further record, KBSI was reappointed to hold the sixth conference in Daejon, South Korea, on 4-6 August 2010 and released a proceeding, published in The DV-Xα Molecular Orbital Calulcation Method, Springer, 2015.


After a lengthy hiatus that lasted for ten years, there was a meeting on 7-8 August 2017 in Japan. This meeting was held by DV-Xα society and the board members attended to discuss the continuity of the conference. Mega Novita, S.Si., M.Si., M.Nat., Sci., Ph.D, an assitant proferssor at Universitas PGRI Semarang (UPGRIS) was the only board member from Indonesia who attended the meeting. She was appointed by the board members to organize the seventh conference that will be held on 2-4 September 2019. To initiate the preparation of the conference, UPGRIS organized a scientific forum in an internal area in the university to introduce DV-Xα method. This event was on the same day of the 37th anniversary of the university, which fell on 23 July 2018. Mega delivered a scientific speech and published a scientific paper entitled The Energy Computation of Transition Metal Ions for Lighting Technology, ISBN 978-602-14020-8-5, copyright 000112936.